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

Systemtic Name: propyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: propyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid propyl ester IUPAC Name: propyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid propyl ester Formula: C19H28O3 MolecularWeight: 304.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C(=O)C1=CC=CC=C1C)C(C)(C)CC

Isomeric SMILES

CCCOC(=O)CC(C(=O)C1=CC=CC=C1C)C(C)(C)CC

InChI

InChI=1S/C19H28O3/c1-6-12-22-17(20)13-16(19(4,5)7-2)18(21)15-11-9-8-10-14(15)3/h8-11,16H,6-7,12-13H2,1-5H3