2-[(4-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(4-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(4-carboxyphenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(4-carboxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(4-carboxybenzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)C(=O)O)CCS

Isomeric SMILES

C1=CC(=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)C(=O)O)CCS

InChI

InChI=1S/C17H16O5S/c18-16(19)13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-9-23)15(14)17(20)21/h1-7,23H,8-10H2,(H,18,19)(H,20,21)