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

Systemtic Name: (phenylmethyl) 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: benzyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid benzyl ester Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCC(C)(C)C(CC(=O)OCC1=CC=CC=C1)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C23H28O3/c1-5-23(3,4)20(22(25)19-14-10-9-11-17(19)2)15-21(24)26-16-18-12-7-6-8-13-18/h6-14,20H,5,15-16H2,1-4H3