2-[(3-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(3-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(3-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(3-chlorophenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(3-chlorophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(3-chlorobenzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C16H15ClO3S MolecularWeight: 322.8065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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