ethyl 3-methyl-5-oxidanyl-4-phenylsulfanyl-benzoate

Systemtic Name: ethyl 3-methyl-5-oxidanyl-4-phenylsulfanyl-benzoate Openeye Name: ethyl 3-hydroxy-5-methyl-4-phenylsulfanyl-benzoate CAS Name: 3-hydroxy-5-methyl-4-(phenylthio)benzoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-5-methyl-4-phenylsulfanylbenzoate Traditional Name: 3-hydroxy-5-methyl-4-(phenylthio)benzoic acid ethyl ester Formula: C16H16O3S MolecularWeight: 288.36144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)O)SC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)O)SC2=CC=CC=C2)C

InChI

InChI=1S/C16H16O3S/c1-3-19-16(18)12-9-11(2)15(14(17)10-12)20-13-7-5-4-6-8-13/h4-10,17H,3H2,1-2H3