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Sulfobenzoic acids
Description:
Benzoic acids carrying a sulfonyl group on the 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
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5-Sulfoanthranilic AcidCas Number: 3577-63-7 Compound CID: 19151Formula: C7H7NO5S Molecular Weight: 217.2IUPAC Name: 2-amino-5-sulfobenzoic acidSMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)NInChIKey: MJNYPLCGWXFYPD-UHFFFAOYSA-NInChI: 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-Sulfosalicylic acidCas Number: 97-05-2 Compound CID: 7322Formula: C7H6O6S Molecular Weight: 218.19IUPAC Name: 2-hydroxy-5-sulfobenzoic acidSMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)OInChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6O6S/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)Synonyms: 2-Hydroxy-5-sulfobenzoic acid
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5-SulfoisophthalicacidCas Number: 22326-31-4Formula: C8H6O7S Molecular Weight: 246.19IUPAC Name: 5-sulfobenzene-1,3-dicarboxylic acidSMILES: C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)OInChIKey: CARJPEPCULYFFP-UHFFFAOYSA-NInChI: InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
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4-Sulfobenzoic AcidCas Number: 636-78-2 EC Number: 861-634-9Formula: C7H6O5S Molecular Weight: 202.19IUPAC Name: 4-sulfobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)OInChIKey: HWAQOZGATRIYQG-UHFFFAOYSA-NInChI: InChI=1S/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
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4-Sulfophthalic acid trisodium saltCas Number: 3325-08-4 Compound CID: 13685749Formula: NaO3SC6H3-1,2-(CO2Na)2 Molecular Weight: 312.14IUPAC Name: trisodium;4-sulfonatophthalateSMILES: C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]InChIKey: IWFDIIDATFUMQH-UHFFFAOYSA-KInChI: InChI=1S/C8H6O7S.3Na/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3Synonyms: Sodium 4-sulfonatophthalate | 4-Sulfophthalic acid trisodium salt | 4-SULFOPHTHALIC ACID, TRISODIUM SALT | J-019111 |...
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5-Sulfosalicylic acid hydrateCas Number: 304851-84-1 Compound CID: 665025Formula: HO3SC6H3-2-(OH)CO2H·xH2O Molecular Weight: 218.18 (anhydrous basis)IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;hydrateSMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O.OInChIKey: PAUDQWJTTVPGHZ-UHFFFAOYSA-NInChI: InChI=1S/C7H6O6S.H2O/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);1H2Synonyms: J-017979 | 5-Sulfosalicylic acid hydrate | AS-67604 | SMR000046135 | 5-SULFOSALICYLIC ACID HYDRATE 95 | MLS000084589...
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4-Sulfo-2,3,5,6-tetrafluorobenzoic AcidCas Number: 125662-60-4 Compound CID: 19807654Formula: C7H2F4O5S Molecular Weight: 274.14IUPAC Name: 2,3,5,6-tetrafluoro-4-sulfobenzoic acidSMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)C(=O)OInChIKey: JNESNWCWZVATQY-UHFFFAOYSA-NInChI: InChI=1S/C7H2F4O5S/c8-2-1(7(12)13)3(9)5(11)6(4(2)10)17(14,15)16/h(H,12,13)(H,14,15,16)Synonyms: S0510 | CS-0358937 | DTXSID00600145 | SCHEMBL7074393 | A925708 | 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid | 2,3,5,6-Te...
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2-Sulfobenzoic acidCas Number: 632-25-7Formula: C7H6O5S Molecular Weight: 202.18IUPAC Name: 2-sulfobenzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)OInChIKey: ZMPRRFPMMJQXPP-UHFFFAOYSA-NInChI: InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)Synonyms: 2-Sulfobenzoic acid|632-25-7|o-Sulfobenzoic acid|Benzoic acid, 2-sulfo-|2-Sulphobenzoic acid|sulfobenzoic acid|O9W371...
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2-Sulfobenzoic acid hydrateFormula: C7H6O5S·xH2O Molecular Weight: 202.19(anhy)IUPAC Name: 2-sulfobenzoic acid;hydrateSMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O.OInChIKey: HVJWSZOEEIYKSS-UHFFFAOYSA-NInChI: InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2Synonyms: 2-Sulfobenzoic acid hydrate|123333-68-6|2-sulfobenzoic acid;hydrate|2-Sulfobenzoic acid trihydrate|2-Sulfobenzoicacid...
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2-Sulfoterephthalic Acid Monosodium SaltCas Number: 19089-60-2Formula: C8H5NaO7S Molecular Weight: 268.17IUPAC Name: sodium;4-carboxy-2-sulfobenzoateSMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]InChIKey: JARIJYUQOKFVAJ-UHFFFAOYSA-MInChI: InChI=1S/C8H6O7S.Na/c9-7(10)4-1-2-5(8(11)12)6(3-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1Synonyms: AKOS027320127 | SCHEMBL17631898 | 1,4-Benzenedicarboxylic acid, 2-sulfo-, monosodium salt | 1,4-Benzenedicarboxylic a...
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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*1H2Synonyms: SULFOSALICYLIC ACID DIHYDRATE [MI] | Salicylic acid, 5-sulfo-, dihydrate | 2-Hydroxy-5-sulfobenzoic-acid | Salicylic ...

