methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxy-benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-hydroxybenzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-4-hydroxy-benzoic acid methyl ester Formula: C15H13ClO3S MolecularWeight: 308.77992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClO3S/c1-19-15(18)10-2-7-14(17)11(8-10)9-20-13-5-3-12(16)4-6-13/h2-8,17H,9H2,1H3