4-[(4-carboxyphenyl)methyl]-3-sulfo-benzoic acid

Systemtic Name: 4-[(4-carboxyphenyl)methyl]-3-sulfo-benzoic acid Openeye Name: 4-[(4-carboxyphenyl)methyl]-3-sulfo-benzoic acid CAS Name: 4-[(4-carboxyphenyl)methyl]-3-sulfobenzoic acid IUPAC Name: 4-[(4-carboxyphenyl)methyl]-3-sulfobenzoic acid Traditional Name: 4-(4-carboxybenzyl)-3-sulfo-benzoic acid Formula: C15H12O7S MolecularWeight: 336.31658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C=C(C=C2)C(=O)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C15H12O7S/c16-14(17)10-3-1-9(2-4-10)7-11-5-6-12(15(18)19)8-13(11)23(20,21)22/h1-6,8H,7H2,(H,16,17)(H,18,19)(H,20,21,22)