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

Systemtic Name: dodecyl 4,4-dimethyl-3-(2-methylphenyl)carbonyl-hexanoate Openeye Name: dodecyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate CAS Name: 4,4-dimethyl-3-[(2-methylphenyl)-oxomethyl]hexanoic acid dodecyl ester IUPAC Name: dodecyl 4,4-dimethyl-3-(2-methylbenzoyl)hexanoate Traditional Name: 4,4-dimethyl-3-o-toluoyl-hexanoic acid lauryl ester Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O3/c1-6-8-9-10-11-12-13-14-15-18-21-31-26(29)22-25(28(4,5)7-2)27(30)24-20-17-16-19-23(24)3/h16-17,19-20,25H,6-15,18,21-22H2,1-5H3