5-[(4-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid

Systemtic Name: 5-[(4-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid Openeye Name: 5-[(4-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid CAS Name: 5-[(4-carboxyphenyl)methoxy]-2-(2-mercaptoethyl)benzoic acid IUPAC Name: 5-[(4-carboxyphenyl)methoxy]-2-(2-sulfanylethyl)benzoic acid Traditional Name: 5-(4-carboxybenzyl)oxy-2-(2-mercaptoethyl)benzoic acid Formula: C17H16O5S MolecularWeight: 332.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=CC(=C(C=C2)CCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=CC(=C(C=C2)CCS)C(=O)O)C(=O)O

InChI

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