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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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Sodium 2，4-diaminobenzenesulfonateCas Number: 3177-22-8 Compound CID: 23678866Formula: C6H7N2NaO3S Molecular Weight: 210.19IUPAC Name: sodium;2,4-diaminobenzenesulfonateSMILES: C1=CC(=C(C=C1N)N)S(=O)(=O)[O-].[Na+]InChIKey: WYSWTEPAYPNWDV-UHFFFAOYSA-MInChI: InChI=1S/C6H8N2O3S.Na/c7-4-1-2-6(5(8)3-4)12(9,10)11;/h1-3H,7-8H2,(H,9,10,11);/q;+1/p-1 -
4-Iodobenzenesulfonic acidCas Number: 13035-63-7Formula: C6H5IO3S Molecular Weight: 284.07IUPAC Name: potassium;4-iodobenzenesulfonateSMILES: C1=CC(=CC=C1S(=O)(=O)[O-])I.[K+]InChIKey: JKXILXFUIWOQAP-UHFFFAOYSA-MInChI: InChI=1S/C6H5IO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
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4-(Neopentyloxysulfonyl)benzeneboronic acidCas Number: 957060-74-1 Compound CID: 44119175Formula: C11H17BO5S Molecular Weight: 272.13IUPAC Name: [4-(2,2-dimethylpropoxysulfonyl)phenyl]boronic acidSMILES: B(C1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C)(O)OInChIKey: HDSWCPUGAFITCT-UHFFFAOYSA-NInChI: InChI=1S/C11H17BO5S/c1-11(2,3)8-17-18(15,16)10-6-4-9(5-7-10)12(13)14/h4-7,13-14H,8H2,1-3H3
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3-FLUOROPROPYL P-TOLUENESULFONATECas Number: 312-68-5 Compound CID: 6366774Formula: C10H13FO3S Molecular Weight: 232.27IUPAC Name: 3-fluoropropyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCFInChIKey: PYCKJIAEKJWSKM-UHFFFAOYSA-NInChI: InChI=1S/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
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2-Chlorobenzenesulfonic Acid hydrateCas Number: 27886-58-4 Compound CID: 13531453Formula: C6H5ClO3S Molecular Weight: 192.62IUPAC Name: 2-chlorobenzenesulfonic acidSMILES: C1=CC=C(C(=C1)S(=O)(=O)O)ClInChIKey: MNURPFVONZPVLA-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
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2-(2-Oxo-1，3-Oxazolidin-3-Yl)Ethyl 4-MethylbenzenesulfonateCas Number: 159974-55-7 Compound CID: 15760947Formula: C12H15NO5S Molecular Weight: 285.32IUPAC Name: 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCOC2=OInChIKey: KBVHXYDAYZDUML-UHFFFAOYSA-NInChI: InChI=1S/C12H15NO5S/c1-10-2-4-11(5-3-10)19(15,16)18-9-7-13-6-8-17-12(13)14/h2-5H,6-9H2,1H3
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2-((tert-Butoxycarbonyl)amino)ethyl 4-methylbenzenesulfonateCas Number: 158690-56-3 Compound CID: 10781634Formula: C14H21NO5S Molecular Weight: 315.39IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)OC(C)(C)CInChIKey: OWNIGLWHXOENAA-UHFFFAOYSA-NInChI: InChI=1S/C14H21NO5S/c1-11-5-7-12(8-6-11)21(17,18)19-10-9-15-13(16)20-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
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1-BOC-3-TOSYLOXYAZETIDINECas Number: 605655-08-1 Compound CID: 57351432IUPAC Name: tert-butyl 3-(4-methylphenyl)sulfonyloxyazetidine-1-carboxylateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CN(C2)C(=O)OC(C)(C)CInChIKey: RIOKPEBUTRGTEA-UHFFFAOYSA-NInChI: InChI=1S/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)21-12-9-16(10-12)14(17)20-15(2,3)4/h5-8,12H,9-10H2,1-4H3
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(Tetrahydro-2H-pyran-4-yl)methyl 4-methylbenzenesulfonateCas Number: 101691-65-0 Compound CID: 19077576Formula: C13H18O4SIUPAC Name: oxan-4-ylmethyl 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CCOCC2InChIKey: DCBKCZSYJRZBDB-UHFFFAOYSA-NInChI: InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
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(S)-2-((tert-Butoxycarbonyl)amino)-3-phenylpropyl 4-methylbenzenesulfonateCas Number: 141403-49-8 Compound CID: 11069512Formula: C21H27NO5S Molecular Weight: 405.52IUPAC Name: [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)NC(=O)OC(C)(C)CInChIKey: RQWPOWPOCHOWOX-SFHVURJKSA-NInChI: InChI=1S/C21H27NO5S/c1-16-10-12-19(13-11-16)28(24,25)26-15-18(14-17-8-6-5-7-9-17)22-20(23)27-21(2,3)4/h5-13,18H,14-15H2,1-4H3,(H,22,23)/t18-/m0/s1
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(1R，2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate 4-methylbenzenesulfonateCas Number: 862273-27-6 Compound CID: 11449813Formula: C14H19NO5SIUPAC Name: methyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acidSMILES: CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)C1(CC1C=C)NInChIKey: IUHJYIOSAPJUMG-HCSZTWNASA-NInChI: InChI=1S/C7H11NO2.C7H8O3S/c1-3-5-4-7(5,8)6(9)10-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,5H,1,4,8H2,2H3;2-5H,1H3,(H,8,9,10)/t5-,7-;/m1./s1
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toluene-2-sulphonic acidCas Number: 88-20-0 Compound CID: 6925Formula: C7H8O3S·2H2O Molecular Weight: 208.23IUPAC Name: 2-methylbenzenesulfonic acidSMILES: CC1=CC=CC=C1S(=O)(=O)OInChIKey: LBLYYCQCTBFVLH-UHFFFAOYSA-NInChI: InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
