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

Systemtic Name: methyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: methyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid methyl ester IUPAC Name: methyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid methyl ester Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-6-17(3,4)14(11-15(18)20-5)16(19)13-10-8-7-9-12(13)2/h7-10,14H,6,11H2,1-5H3