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Benzene and substituted derivatives

Description:

Aromatic compounds containing one monocyclic ring system consisting of benzene.
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  1. 5-Sulfosalicylic acid dihydrate
    Cas Number: 5965-83-3        EC Number: 202-555-6        Compound CID:  2723734
    Formula:  C7H6O6S·2H2O        Molecular Weight: 254.21
    IUPAC Name:  2-hydroxy-5-sulfobenzoic acid;dihydrate
    SMILES:  C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.O
    InChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-N
    InChI:  InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
  2. Z-D-Dap-OH
      Grade & Purity: 
    • ≥98%
    Cas Number: 62234-37-1
    Formula:  C11H14N2O4        Molecular Weight: 238.24
    IUPAC Name:  (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
    SMILES:  C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O
    InChIKey: FOXRXVSTFGNURG-SECBINFHSA-N
    InChI:  InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m1/s1
    Synonyms: (R)-3-Amino-2-benzyloxycarbonylamino-propionic acid | (R)-3-Amino-2-Cbz-Aminopropanoic Acid | (R)-3-AMINO-2-(CBZ-AMIN...
  3. Pentadecylbenzene
      Grade & Purity: 
    • ≥96%
    Cas Number: 2131-18-2        Compound CID:  16476
    Formula:  C21H36        Molecular Weight: 288.52
    IUPAC Name:  pentadecylbenzene
    SMILES:  CCCCCCCCCCCCCCCC1=CC=CC=C1
    InChIKey: JIRNEODMTPGRGV-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3
  4. Propiconazole
      Grade & Purity: 
    • ≥95%(mixture of isomers)
    Cas Number: 60207-90-1        EC Number: 262-104-4
    Formula:  C15H17Cl2N3O2        Molecular Weight: 342.22
    IUPAC Name:  1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
    SMILES:  CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
    InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3
  5. Transfluthrin
      Grade & Purity: 
    • ≥95%
    Cas Number: 118712-89-3        EC Number: 405-060-5
    Formula:  C15H12Cl2F4O2        Molecular Weight: 371.15
    IUPAC Name:  (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
    SMILES:  CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
    InChIKey: DDVNRFNDOPPVQJ-HQJQHLMTSA-N
    InChI:  InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
  6. N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium dibromide
    Cas Number: 872979-87-8        Compound CID:  53426329
    Formula:  C27H39Br2N3        Molecular Weight: 565.427
    IUPAC Name:  3-[4-[6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-trimethylazanium;dibromide
    SMILES:  CCN(CC)C1=CC=C(C=C1)C=CC=CC=CC2=CC=[N+](C=C2)CCC[N+](C)(C)C.[Br-].[Br-]
    InChIKey: AZJASRWHFPDMHB-UHFFFAOYSA-L
    InChI:  InChI=1S/C27H39N3.2BrH/c1-6-29(7-2)27-17-15-25(16-18-27)13-10-8-9-11-14-26-19-22-28(23-20-26)21-12-24-30(3,4)5;;/h8-11,13-20,22-23H,6-7,12,21,24H2,1-5show more
    Synonyms: N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium bromide | fm 5-95 | n-(3-trimethyla...
  7. N-(3-triethylammoniumpropyl)-4-(4-(4-(diethylamino)phenyl)butadienyl)pyridinium dibromide
    Cas Number: 161433-30-3        Compound CID:  11261722
    Formula:  C28H43Br2N3        Molecular Weight: 581.47
    IUPAC Name:  3-[4-[(1E,3E)-4-[4-(diethylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
    SMILES:  CCN(CC)C1=CC=C(C=C1)C=CC=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
    InChIKey: CPDHBIMOKOHWDD-UHFFFAOYSA-L
    InChI:  InChI=1S/C28H43N3.2BrH/c1-6-30(7-2)28-18-16-26(17-19-28)14-11-12-15-27-20-23-29(24-21-27)22-13-25-31(8-3,9-4)10-5;;/h11-12,14-21,23-24H,6-10,13,22,25Hshow more
    Synonyms: RH 414 | UNII-IT32S296PE | RH-414 | Pyridinium, 4-(4-(4-(diethylamino)phenyl)-1,3-butadien-1-yl)-1-(3-(triethylammoni...
  8. N-(3-triethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium dibromide
    Cas Number: 162112-35-8
    Formula:  C30H45Br2N3        Molecular Weight: 607.506
    IUPAC Name:  3-[4-[(1E,3E,5E)-6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
    SMILES:  CCN(CC)C1=CC=C(C=C1)C=CC=CC=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
    InChIKey: AFVSZGYRRUMOFH-UHFFFAOYSA-L
    InChI:  InChI=1S/C30H45N3.2BrH/c1-6-32(7-2)30-20-18-28(19-21-30)16-13-11-12-14-17-29-22-25-31(26-23-29)24-15-27-33(8-3,9-4)10-5;;/h11-14,16-23,25-26H,6-10,15,show more
    Synonyms: FM4-64 | N-(3-Triethylammoniopropyl)-4-(6-(4-(diethylamino)phenyl) hexatrienyl)pyridinium dibromide | 3-[4-[(1E,3E,5E...
  9. N-(3-triethylammoniumpropyl)-4-(4-(diethylamino)styryl)pyridinium dibromide
    Cas Number: 336185-20-7        Compound CID:  6508730
    Formula:  C26H41Br2N3        Molecular Weight: 555.432
    IUPAC Name:  3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
    SMILES:  CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
    InChIKey: HLNKJDYNEWLULB-UHFFFAOYSA-L
    InChI:  InChI=1S/C26H41N3.2BrH/c1-6-28(7-2)26-16-14-24(15-17-26)12-13-25-18-21-27(22-19-25)20-11-23-29(8-3,9-4)10-5;;/h12-19,21-22H,6-11,20,23H2,1-5H3;2*1H/q+show more
    Synonyms: 4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE | 3-[4-[(E)-2-[4-(diethyl...
  10. N-(3-triethylammoniumpropyl)-4-(4-(dibutylamino)styryl)pyridinium dibromide
    Cas Number: 149838-22-2
    Formula:  C30H49Br2N3        Molecular Weight: 611.538
    IUPAC Name:  3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromide
    SMILES:  CCCCN(CCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]
    InChIKey: VZUVCAGXYLMFEC-UHFFFAOYSA-L
    InChI:  InChI=1S/C30H49N3.2BrH/c1-6-11-23-32(24-12-7-2)30-18-16-28(17-19-30)14-15-29-20-25-31(26-21-29)22-13-27-33(8-3,9-4)10-5;;/h14-21,25-26H,6-13,22-24,27Hshow more
    Synonyms: FM1-43 | 149838-22-2 | NerveGreen C1 | N-(3-(triethylammonium)propyl)-4-(4-(dibutylamino)styryl)pyridinium | UNII-83I...
  11. Toltrazuril sulfone
      Grade & Purity: 
    • ≥98%
    Cas Number: 69004-04-2
    Formula:  C18H14F3N3O6S        Molecular Weight: 457.38
    IUPAC Name:  1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
    SMILES:  CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F
    InChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
  12. Metsulfuron-methyl
      Grade & Purity: 
    • ≥95%
    Cas Number: 74223-64-6
    Formula:  C14H15N5O6S        Molecular Weight: 381.36
    IUPAC Name:  methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
    SMILES:  CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
    InChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
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