[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24O6 MolecularWeight: 372.41166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24O6/c1-6-14-7-9-15(10-8-14)19(22)13(2)27-21(23)16-11-17(24-3)20(26-5)18(12-16)25-4/h7-13H,6H2,1-5H3/t13-/m0/s1