ethyl 4-(3,4-dimethoxyphenyl)carbonyl-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)carbonyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 4-(3,4-dimethoxybenzoyl)-3-oxo-hexanoate CAS Name: 4-[(3,4-dimethoxyphenyl)-oxomethyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxybenzoyl)-3-oxohexanoate Traditional Name: 3-keto-4-veratroyl-hexanoic acid ethyl ester Formula: C17H22O6 MolecularWeight: 322.35298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CC(=O)OCC)C(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC(C(=O)CC(=O)OCC)C(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H22O6/c1-5-12(13(18)10-16(19)23-6-2)17(20)11-7-8-14(21-3)15(9-11)22-4/h7-9,12H,5-6,10H2,1-4H3