methyl 5-methoxy-3,4-bis(oxidanyl)-2-phenylsulfanyl-benzoate

Systemtic Name: methyl 5-methoxy-3,4-bis(oxidanyl)-2-phenylsulfanyl-benzoate Openeye Name: methyl 3,4-dihydroxy-5-methoxy-2-phenylsulfanyl-benzoate CAS Name: 3,4-dihydroxy-5-methoxy-2-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3,4-dihydroxy-5-methoxy-2-phenylsulfanylbenzoate Traditional Name: 3,4-dihydroxy-5-methoxy-2-(phenylthio)benzoic acid methyl ester Formula: C15H14O5S MolecularWeight: 306.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OC)SC2=CC=CC=C2)O)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OC)SC2=CC=CC=C2)O)O

InChI

InChI=1S/C15H14O5S/c1-19-11-8-10(15(18)20-2)14(13(17)12(11)16)21-9-6-4-3-5-7-9/h3-8,16-17H,1-2H3