Benzenesulfonic acids and derivatives

Description:

Organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Benzene and substituted derivatives ⮕ Benzenesulfonic acids and derivatives

2-hydroxy-4-methylbenzenesulphonic acid
- ≥95%
Cas Number: 22356-80-5 Compound CID: 89674

Formula: C₇H₈O₄S Molecular Weight: 188.2

IUPAC Name: 2-hydroxy-4-methylbenzenesulfonic acid

SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)O

InChIKey: GCFPFWRHYINTRX-UHFFFAOYSA-N

InChI: InChI=1S/C7H8O4S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4,8H,1H3,(H,9,10,11)
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2-(Benzofuran-3-yl)ethyl 4-methylbenzenesulfonate
- ≥97%
Cas Number: 26278-25-1

Formula: C₁₇H₁₆O₄S Molecular Weight: 316.37

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC2=COC3=CC=CC=C32

InChIKey: OEJOFPWUQPRTDR-UHFFFAOYSA-N

InChI: InChI=1S/C17H16O4S/c1-13-6-8-15(9-7-13)22(18,19)21-11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12H,10-11H2,1H3
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(1R，2S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester tosylate salt
- ≥98%
Cas Number: 1159609-95-6 Compound CID: 46737761

Formula: C15H21NO5S

IUPAC Name: ethyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;4-methylbenzenesulfonic acid

SMILES: CCOC(=O)C1(CC1C=C)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChIKey: ZVRWDUOPDWVUNQ-CIRBGYJCSA-N

InChI: InChI=1S/C8H13NO2.C7H8O3S/c1-3-6-5-8(6,9)7(10)11-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3,6H,1,4-5,9H2,2H3;2-5H,1H3,(H,8,9,10)/t6-,8-;/m1./s1
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3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-4′,4′′-disulfonic acid sodium salt
Cas Number: 69898-45-9 EC Number: 274-196-3

Formula: C₂₀H₁₃N₄NaO₆S₂ Molecular Weight: 492.46

IUPAC Name: sodium;4-[3-pyridin-2-yl-6-(4-sulfophenyl)-1,2,4-triazin-5-yl]benzenesulfonate

SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

InChIKey: ZGVNYCXXBQPDPQ-UHFFFAOYSA-M

InChI: InChI=1S/C20H14N4O6S2.Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;/h1-12H,(H,25,26,27)(H,28show more
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5-Sulfoanthranilic Acid
- ≥98%(HPLC)
- H2O≤10%
Cas Number: 3577-63-7 Compound CID: 19151

Formula: C₇H₇NO₅S Molecular Weight: 217.2

IUPAC Name: 2-amino-5-sulfobenzoic acid

SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N

InChIKey: MJNYPLCGWXFYPD-UHFFFAOYSA-N

InChI: InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)

Synonyms: 2-Amino-5-sulfobenzoic acid
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5-((tert-Butoxycarbonyl)amino)pentyl 4-methylbenzenesulfonate
- ≥97%
Cas Number: 118811-34-0 Compound CID: 10832186

Formula: C₁₇H₂₇NO₅S Molecular Weight: 357.5

IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 4-methylbenzenesulfonate

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C

InChIKey: RAOOQXZPVIXTHJ-UHFFFAOYSA-N

InChI: InChI=1S/C17H27NO5S/c1-14-8-10-15(11-9-14)24(20,21)22-13-7-5-6-12-18-16(19)23-17(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H,18,19)
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2,4,6-triisopropylbenzenesulfonic acid
- ≥95%
Cas Number: 63877-57-6

Formula: C₁₅H₂₄O₃S Molecular Weight: 284.41

IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid

SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)O)C(C)C

InChIKey: YHGKEORTCHVBQH-UHFFFAOYSA-N

InChI: InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)

Synonyms: 2,4,6-tri(propan-2-yl)benzenesulfonic acid | 2,4,6-Tri(Propan-2-Yl)benzenesulfonic Acid
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2，5-Diaminobenzene-1，3-disulfonic acid
- ≥85%
Cas Number: 6409-48-9 Compound CID: 15249343

Formula: C₆H₈N₂O₆S₂ Molecular Weight: 268.27

IUPAC Name: 2,5-diaminobenzene-1,3-disulfonic acid

SMILES: C1=C(C=C(C(=C1S(=O)(=O)O)N)S(=O)(=O)O)N

InChIKey: QGNJPFLIBOTDKU-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2O6S2/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14/h1-2H,7-8H2,(H,9,10,11)(H,12,13,14)
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(S)-3-(Benzyloxy)-2-Hydroxypropyl 4-Methylbenzenesulfonate
- ≥95%
Cas Number: 16495-04-8 Compound CID: 13644870

Formula: C₁₇H₂₀O₅S Molecular Weight: 336.4

IUPAC Name: [(2S)-2-hydroxy-3-phenylmethoxypropyl] 4-methylbenzenesulfonate

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(COCC2=CC=CC=C2)O

InChIKey: HBMUWOSOGHUWSS-INIZCTEOSA-N

InChI: InChI=1S/C17H20O5S/c1-14-7-9-17(10-8-14)23(19,20)22-13-16(18)12-21-11-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3/t16-/m0/s1
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tert-Butyl 3-((tosyloxy)methyl)pyrrolidine-1-carboxylate
- ≥95%
Cas Number: 114214-70-9 Compound CID: 20067158

Formula: C₁₇H₂₅NO₅S Molecular Weight: 355.45

IUPAC Name: tert-butyl 3-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)C(=O)OC(C)(C)C

InChIKey: WPYAOABDDALQSO-UHFFFAOYSA-N

InChI: InChI=1S/C17H25NO5S/c1-13-5-7-15(8-6-13)24(20,21)22-12-14-9-10-18(11-14)16(19)23-17(2,3)4/h5-8,14H,9-12H2,1-4H3
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Sodium 4-isopropylbenzenesulfonate
- ≥95%
Cas Number: 15763-76-5 Compound CID: 23679813

Formula: C₉H₁₁NaO₃S Molecular Weight: 222.24

IUPAC Name: sodium;4-propan-2-ylbenzenesulfonate

SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChIKey: QEKATQBVVAZOAY-UHFFFAOYSA-M

InChI: InChI=1S/C9H12O3S.Na/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1
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Sodium 4-(bromomethyl)benzenesulfonate
- ≥85%
Cas Number: 32014-22-5 Compound CID: 23688951

Formula: C₇H₆BrNaO₃S Molecular Weight: 273.08

IUPAC Name: sodium;4-(bromomethyl)benzenesulfonate

SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)[O-].[Na+]

InChIKey: VUIRTEIRZXTTPR-UHFFFAOYSA-M

InChI: InChI=1S/C7H7BrO3S.Na/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5H2,(H,9,10,11);/q;+1/p-1
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