[4-methyl-2-(3-methylphenyl)-3-oxidanylidene-cyclopenten-1-yl] hexadecanoate

Systemtic Name: [4-methyl-2-(3-methylphenyl)-3-oxidanylidene-cyclopenten-1-yl] hexadecanoate Openeye Name: [4-methyl-2-(m-tolyl)-3-oxo-cyclopenten-1-yl] hexadecanoate CAS Name: hexadecanoic acid [4-methyl-2-(3-methylphenyl)-3-oxo-1-cyclopentenyl] ester IUPAC Name: [4-methyl-2-(3-methylphenyl)-3-oxocyclopenten-1-yl] hexadecanoate Traditional Name: palmitic acid [3-keto-4-methyl-2-(m-tolyl)cyclopenten-1-yl] ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C(=O)C(C1)C)C2=CC(=CC=C2)C

InChI

InChI=1S/C29H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(30)32-26-22-24(3)29(31)28(26)25-19-17-18-23(2)21-25/h17-19,21,24H,4-16,20,22H2,1-3H3