5-[(3-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid

Systemtic Name: 5-[(3-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid Openeye Name: 5-[(3-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid CAS Name: 5-[(3-carboxyphenyl)methoxy]-2-(2-mercaptoethyl)benzoic acid IUPAC Name: 5-[(3-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid Traditional Name: 5-(3-carboxybenzyl)oxy-2-(2-mercaptoethyl)benzoic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC(=C(C=C2)CCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC(=C(C=C2)CCS)C(=O)O)C(=O)O

InChI

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