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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-6-8-11-14-24-19(22)15-18(21(4,5)7-2)20(23)17-13-10-9-12-16(17)3/h9-10,12-13,18H,6-8,11,14-15H2,1-5H3