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

Systemtic Name: 2-[(2-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(2-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(2-chlorophenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(2-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(2-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)COC2=CC=CC(=C2C(=O)O)CCS)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=CC(=C2C(=O)O)CCS)Cl

InChI

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