methyl 2,4-dimethyl-6-phenylsulfanyl-benzoate

Systemtic Name: methyl 2,4-dimethyl-6-phenylsulfanyl-benzoate Openeye Name: methyl 2,4-dimethyl-6-phenylsulfanyl-benzoate CAS Name: 2,4-dimethyl-6-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-6-phenylsulfanylbenzoate Traditional Name: 2,4-dimethyl-6-(phenylthio)benzoic acid methyl ester Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C16H16O2S/c1-11-9-12(2)15(16(17)18-3)14(10-11)19-13-7-5-4-6-8-13/h4-10H,1-3H3