ethyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate

Systemtic Name: ethyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: ethyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid ethyl ester IUPAC Name: ethyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid ethyl ester Formula: C18H26O3 MolecularWeight: 290.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(CC(=O)OCC)C(=O)C1=CC=CC=C1C

Isomeric SMILES

CCC(C)(C)C(CC(=O)OCC)C(=O)C1=CC=CC=C1C

InChI

InChI=1S/C18H26O3/c1-6-18(4,5)15(12-16(19)21-7-2)17(20)14-11-9-8-10-13(14)3/h8-11,15H,6-7,12H2,1-5H3