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Benzene and substituted derivatives
Description:
Aromatic compounds containing one monocyclic ring system consisting of benzene.
Ancestors:
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5-Sulfosalicylic acid dihydrateFormula: C7H6O6S·2H2O Molecular Weight: 254.21IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrateSMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.O.OInChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-NInChI: 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
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Z-D-Dap-OHCas Number: 62234-37-1Formula: C11H14N2O4 Molecular Weight: 238.24IUPAC Name: (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acidSMILES: C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)OInChIKey: FOXRXVSTFGNURG-SECBINFHSA-NInChI: 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/s1Synonyms: (R)-3-Amino-2-benzyloxycarbonylamino-propionic acid | (R)-3-Amino-2-Cbz-Aminopropanoic Acid | (R)-3-AMINO-2-(CBZ-AMIN...
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PentadecylbenzeneCas Number: 2131-18-2 Compound CID: 16476Formula: C21H36 Molecular Weight: 288.52IUPAC Name: pentadecylbenzeneSMILES: CCCCCCCCCCCCCCCC1=CC=CC=C1InChIKey: JIRNEODMTPGRGV-UHFFFAOYSA-NInChI: 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
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PropiconazoleCas Number: 60207-90-1 EC Number: 262-104-4Formula: C15H17Cl2N3O2 Molecular Weight: 342.22IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazoleSMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)ClInChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-NInChI: 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
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TransfluthrinCas Number: 118712-89-3 EC Number: 405-060-5Formula: C15H12Cl2F4O2 Molecular Weight: 371.15IUPAC Name: (2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylateSMILES: CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)CInChIKey: DDVNRFNDOPPVQJ-HQJQHLMTSA-NInChI: 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
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N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium dibromideCas Number: 872979-87-8 Compound CID: 53426329Formula: C27H39Br2N3 Molecular Weight: 565.427IUPAC Name: 3-[4-[6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-trimethylazanium;dibromideSMILES: 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-LInChI: show moreSynonyms: N-(3-trimethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium bromide | fm 5-95 | n-(3-trimethyla...
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N-(3-triethylammoniumpropyl)-4-(4-(4-(diethylamino)phenyl)butadienyl)pyridinium dibromideCas Number: 161433-30-3 Compound CID: 11261722Formula: C28H43Br2N3 Molecular Weight: 581.47IUPAC Name: 3-[4-[(1E,3E)-4-[4-(diethylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromideSMILES: CCN(CC)C1=CC=C(C=C1)C=CC=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]InChIKey: CPDHBIMOKOHWDD-UHFFFAOYSA-LInChI: show moreSynonyms: RH 414 | UNII-IT32S296PE | RH-414 | Pyridinium, 4-(4-(4-(diethylamino)phenyl)-1,3-butadien-1-yl)-1-(3-(triethylammoni...
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N-(3-triethylammoniumpropyl)-4-(6-(4-(diethylamino)phenyl)hexatrienyl)pyridinium dibromideCas Number: 162112-35-8Formula: C30H45Br2N3 Molecular Weight: 607.506IUPAC Name: 3-[4-[(1E,3E,5E)-6-[4-(diethylamino)phenyl]hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromideSMILES: 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-LInChI: show moreSynonyms: FM4-64 | N-(3-Triethylammoniopropyl)-4-(6-(4-(diethylamino)phenyl) hexatrienyl)pyridinium dibromide | 3-[4-[(1E,3E,5E...
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N-(3-triethylammoniumpropyl)-4-(4-(diethylamino)styryl)pyridinium dibromideCas Number: 336185-20-7 Compound CID: 6508730Formula: C26H41Br2N3 Molecular Weight: 555.432IUPAC Name: 3-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromideSMILES: CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]InChIKey: HLNKJDYNEWLULB-UHFFFAOYSA-LInChI: show moreSynonyms: 4-((E)-2-[4-(DIETHYLAMINO)PHENYL]ETHENYL)-1-[3-(TRIETHYLAMMONIO)PROPYL]PYRIDINIUM DIBROMIDE | 3-[4-[(E)-2-[4-(diethyl...
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N-(3-triethylammoniumpropyl)-4-(4-(dibutylamino)styryl)pyridinium dibromideCas Number: 149838-22-2Formula: C30H49Br2N3 Molecular Weight: 611.538IUPAC Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propyl-triethylazanium;dibromideSMILES: CCCCN(CCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCC[N+](CC)(CC)CC.[Br-].[Br-]InChIKey: VZUVCAGXYLMFEC-UHFFFAOYSA-LInChI: show moreSynonyms: FM1-43 | 149838-22-2 | NerveGreen C1 | N-(3-(triethylammonium)propyl)-4-(4-(dibutylamino)styryl)pyridinium | UNII-83I...
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Toltrazuril sulfoneCas Number: 69004-04-2Formula: C18H14F3N3O6S Molecular Weight: 457.38IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trioneSMILES: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)FInChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-NInChI: 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)
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Metsulfuron-methylCas Number: 74223-64-6Formula: C14H15N5O6S Molecular Weight: 381.36IUPAC Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoateSMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCInChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-NInChI: 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)







