4-(4-carboxyphenyl)sulfonyl-2,3-dimethyl-benzoic acid

Systemtic Name: 4-(4-carboxyphenyl)sulfonyl-2,3-dimethyl-benzoic acid Openeye Name: 4-(4-carboxyphenyl)sulfonyl-2,3-dimethyl-benzoic acid CAS Name: 4-(4-carboxyphenyl)sulfonyl-2,3-dimethylbenzoic acid IUPAC Name: 4-(4-carboxyphenyl)sulfonyl-2,3-dimethylbenzoic acid Traditional Name: 4-(4-carboxyphenyl)sulfonyl-2,3-dimethyl-benzoic acid Formula: C16H14O6S MolecularWeight: 334.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O6S/c1-9-10(2)14(8-7-13(9)16(19)20)23(21,22)12-5-3-11(4-6-12)15(17)18/h3-8H,1-2H3,(H,17,18)(H,19,20)