(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-methylsulfanylbenzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3S/c1-12-10-13(2)19(15(4)21)14(3)18(12)11-23-20(22)16-6-8-17(24-5)9-7-16/h6-10H,11H2,1-5H3