[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H22O4S MolecularWeight: 370.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C)C

InChI

InChI=1S/C21H22O4S/c1-13-9-15(3)18(10-14(13)2)19(23)11-25-21(24)17-7-5-6-8-20(17)26-12-16(4)22/h5-10H,11-12H2,1-4H3