4-(4-carboxyphenyl)-3-sulfo-benzoic acid

Systemtic Name: 4-(4-carboxyphenyl)-3-sulfo-benzoic acid Openeye Name: 4-(4-carboxyphenyl)-3-sulfo-benzoic acid CAS Name: 4-(4-carboxyphenyl)-3-sulfobenzoic acid IUPAC Name: 4-(4-carboxyphenyl)-3-sulfobenzoic acid Traditional Name: 4-(4-carboxyphenyl)-3-sulfo-benzoic acid Formula: C14H10O7S MolecularWeight: 322.29

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H10O7S/c15-13(16)9-3-1-8(2-4-9)11-6-5-10(14(17)18)7-12(11)22(19,20)21/h1-7H,(H,15,16)(H,17,18)(H,19,20,21)