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

Systemtic Name: octyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: octyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid octyl ester IUPAC Name: octyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid octyl ester Formula: C24H38O3 MolecularWeight: 374.55672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O3/c1-6-8-9-10-11-14-17-27-22(25)18-21(24(4,5)7-2)23(26)20-16-13-12-15-19(20)3/h12-13,15-16,21H,6-11,14,17-18H2,1-5H3