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Benzenesulfonic acids and derivatives
Description:
Organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
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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 -
Linear alkylbenzenesulfonic acidCas Number: 68584-22-5 EC Number: 271-528-9Formula: RC6H4SO3H R=C10H21-C13H27IUPAC Name: 4-dodecylbenzenesulfonic acidSMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OInChIKey: KWXICGTUELOLSQ-UHFFFAOYSA-NInChI: InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
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tert-Butyl4-methylbenzenesulfonateCas Number: 4664-57-7 Compound CID: 11009717IUPAC Name: tert-butyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)CInChIKey: DLRDEMODNIPHMU-UHFFFAOYSA-NInChI: InChI=1S/C11H16O3S/c1-9-5-7-10(8-6-9)15(12,13)14-11(2,3)4/h5-8H,1-4H3
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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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Zinc p-toluenesulfonate xhydrateCas Number: 123334-05-4 Compound CID: 16212267Formula: C14H16O7S2Zn Molecular Weight: 425.8IUPAC Name: zinc;4-methylbenzenesulfonate;hydrateSMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].O.[Zn+2]InChIKey: JCOXFVWERPVZPB-UHFFFAOYSA-LInChI: InChI=1S/2C7H8O3S.H2O.Zn/c2*1-6-2-4-7(5-3-6)11(8,9)10;;/h2*2-5H,1H3,(H,8,9,10);1H2;/q;;;+2/p-2
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[(3S，5R)-5-(2，4-difluorophenyl)-5-(1，2，4-triazol-1-ylmethyl)tetra hydrofuran-3-yl]methyl 4-chlorobenzenesulfonateCas Number: 175712-02-4 Compound CID: 46223299Formula: C20H18ClF2N3O4S Molecular Weight: 469.9IUPAC Name: [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonateSMILES: C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)ClInChIKey: WUPORSBDFSRGHD-XOBRGWDASA-NInChI: show more
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Pentyl 4-methylbenzenesulfonateCas Number: 4450-76-4 Compound CID: 78195Formula: C12H18O3S Molecular Weight: 242.34IUPAC Name: pentyl 4-methylbenzenesulfonateSMILES: CCCCCOS(=O)(=O)C1=CC=C(C=C1)CInChIKey: KOUCTZDKTJGHSS-UHFFFAOYSA-NInChI: InChI=1S/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
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4-dodecan-3-ylbenzenesulfonic acidCas Number: 18777-54-3Formula: C18H30O3S Molecular Weight: 326.49SMILES: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)OInChIKey: QJRVOJKLQNSNDB-UHFFFAOYSA-NInChI: InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)
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m-Toluenesulfonic acid monohydrateCas Number: 312619-56-0 Compound CID: 53249652Formula: C7H10O4S Molecular Weight: 190.22IUPAC Name: 3-methylbenzenesulfonic acid;hydrateSMILES: CC1=CC(=CC=C1)S(=O)(=O)O.OInChIKey: GHLYGGIKYFLYTH-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
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Sodium 2，5-dimethylbenzenesulfonateCas Number: 827-19-0 Compound CID: 23691974Formula: C8H9NaO3S Molecular Weight: 208.21IUPAC Name: sodium;2,5-dimethylbenzenesulfonateSMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)[O-].[Na+]InChIKey: SDCULNUHRZODAC-UHFFFAOYSA-MInChI: InChI=1S/C8H10O3S.Na/c1-6-3-4-7(2)8(5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1
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Benzyl-PEG5-OtsCas Number: 129086-10-8 Compound CID: 10814656Formula: C24H34O8S Molecular Weight: 482.6IUPAC Name: 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCC2=CC=CC=C2InChIKey: DKGINCKIMWNUHS-UHFFFAOYSA-NInChI: InChI=1S/C24H34O8S/c1-22-7-9-24(10-8-22)33(25,26)32-20-19-30-16-15-28-12-11-27-13-14-29-17-18-31-21-23-5-3-2-4-6-23/h2-10H,11-21H2,1H3
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3-hydroxy-3-methylbutyl 4-methylbenzenesulfonateCas Number: 17689-66-6 Compound CID: 14001295Formula: C12H18O4S Molecular Weight: 258.339IUPAC Name: (3-hydroxy-3-methylbutyl) 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)OInChIKey: GGLYIKZLOPXYOV-UHFFFAOYSA-NInChI: InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-8-12(2,3)13/h4-7,13H,8-9H2,1-3H3
