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Benzene and substituted derivatives
Description:
Aromatic compounds containing one monocyclic ring system consisting of benzene.
Ancestors:
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tert-Butyl 4-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)phenethylcarbamateCas Number: 360792-43-4 Compound CID: 20806728Formula: C19H30BNO4 Molecular Weight: 347.3IUPAC Name: tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCNC(=O)OC(C)(C)CInChIKey: MGDIIQXOACAHIU-UHFFFAOYSA-NInChI: InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21-13-12-14-8-10-15(11-9-14)20-24-18(4,5)19(6,7)25-20/h8-11H,12-13H2,1-7H3,(H,21,22) -
[4-(Prop-2-yn-1-yl)phenyl]methanolCas Number: 51176-48-8 Compound CID: 11332545Formula: C10H10O Molecular Weight: 146.19IUPAC Name: (4-prop-2-ynylphenyl)methanolSMILES: C#CCC1=CC=C(C=C1)COInChIKey: KMFBMUWZGGIREA-UHFFFAOYSA-NInChI: InChI=1S/C10H10O/c1-2-3-9-4-6-10(8-11)7-5-9/h1,4-7,11H,3,8H2
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Zinc dibenzoateCas Number: 553-72-0Formula: C14H10O4Zn Molecular Weight: 307.64IUPAC Name: zinc;dibenzoateSMILES: C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Zn+2]InChIKey: JDLYKQWJXAQNNS-UHFFFAOYSA-LInChI: InChI=1S/2C7H6O2.Zn/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2Synonyms: Zinc benzoate
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Tolylene-2,6-diisocyanateCas Number: 91-08-7 EC Number: 202-039-0Formula: C9H6N2O2 Molecular Weight: 174.16IUPAC Name: 1,3-diisocyanato-2-methylbenzeneSMILES: CC1=C(C=CC=C1N=C=O)N=C=OInChIKey: RUELTTOHQODFPA-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3Synonyms: 2-Methyl-m-phenylene Diisocyanate
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Tetramethyl 3，3'，4，4'-biphenyltetracarboxylateCas Number: 36978-37-7 Compound CID: 11474641IUPAC Name: dimethyl 4-[3,4-bis(methoxycarbonyl)phenyl]benzene-1,2-dicarboxylateSMILES: COC(=O)C1=C(C=C(C=C1)C2=CC(=C(C=C2)C(=O)OC)C(=O)OC)C(=O)OCInChIKey: NJIGQKCRWMSZBA-UHFFFAOYSA-NInChI: InChI=1S/C20H18O8/c1-25-17(21)13-7-5-11(9-15(13)19(23)27-3)12-6-8-14(18(22)26-2)16(10-12)20(24)28-4/h5-10H,1-4H3
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TetradifonFormula: C12H6Cl4O2S Molecular Weight: 356.05IUPAC Name: 1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzeneSMILES: C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)ClInChIKey: MLGCXEBRWGEOQX-UHFFFAOYSA-NInChI: InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
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[4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl](phenyl)methanoneCas Number: 2549-90-8Formula: C21H26O3 Molecular Weight: 326.44SMILES: CCCCC(CC)COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OInChIKey: SLXIKWJMGICOAO-UHFFFAOYSA-NInChI: InChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3Synonyms: [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone
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ZINC PHENOLSULFONATECas Number: 127-82-2Formula: C12H10O8S2Zn Molecular Weight: 411.72SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].C1=CC(=CC=C1O)S(=O)(=O)[O-].[Zn+2]InChIKey: ZNVKGUVDRSSWHV-UHFFFAOYSA-LInChI: InChI=1S/2C6H6O4S.Zn/c2*7-5-1-3-6(4-2-5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
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cis-(1-benzylpyrrolidine-3，4-diyl)dimethanolCas Number: 179601-65-1 Compound CID: 53883141Formula: C13H19NO2 Molecular Weight: 221.29IUPAC Name: [(3R,4S)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanolSMILES: C1C(C(CN1CC2=CC=CC=C2)CO)COInChIKey: HLFKLRXUZKUZOP-BETUJISGSA-NInChI: InChI=1S/C13H19NO2/c15-9-12-7-14(8-13(12)10-16)6-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13+
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bis(3-methylphenyl) carbonateCas Number: 620-52-0Formula: C15H14O3 Molecular Weight: 242.2699SMILES: CC1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)CInChIKey: PDYNXWPJDVOHDW-UHFFFAOYSA-NInChI: InChI=1S/C15H14O3/c1-11-5-3-7-13(9-11)17-15(16)18-14-8-4-6-12(2)10-14/h3-10H,1-2H3
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benzyl pent-4-enoateCas Number: 113882-48-7Formula: C12H14O2 Molecular Weight: 190.24SMILES: C=CCCC(=O)OCC1=CC=CC=C1InChIKey: XHZWDEGVEUATPY-UHFFFAOYSA-NInChI: InChI=1S/C12H14O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2
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ZinquinCas Number: 151606-29-0 Compound CID: 132933Formula: C19H18N2O5S Molecular Weight: 386.42IUPAC Name: 2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OCC(=O)O)C=CC(=N3)CInChIKey: CGNKOBNGEFZRQU-UHFFFAOYSA-NInChI: InChI=1S/C19H18N2O5S/c1-12-3-7-16(8-4-12)27(24,25)21-17-10-15(26-11-18(22)23)9-14-6-5-13(2)20-19(14)17/h3-10,21H,11H2,1-2H3,(H,22,23)
