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

Systemtic Name: 3-methylbutyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: isopentyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid isoamyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-7-21(5,6)18(14-19(22)24-13-12-15(2)3)20(23)17-11-9-8-10-16(17)4/h8-11,15,18H,7,12-14H2,1-6H3