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

Systemtic Name: hexyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: hexyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid hexyl ester IUPAC Name: hexyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid hexyl ester Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3/c1-6-8-9-12-15-25-20(23)16-19(22(4,5)7-2)21(24)18-14-11-10-13-17(18)3/h10-11,13-14,19H,6-9,12,15-16H2,1-5H3