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

Systemtic Name: 2-[(4-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(4-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(4-chlorophenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(4-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(4-chlorobenzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C16H15ClO3S MolecularWeight: 322.8065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClO3S/c17-13-6-4-11(5-7-13)10-20-14-3-1-2-12(8-9-21)15(14)16(18)19/h1-7,21H,8-10H2,(H,18,19)