[(4Z)-3-oxidanylidene-4-(phenylazanylmethylidene)cyclohexa-1,5-dien-1-yl] hexadecanoate

Systemtic Name: [(4Z)-3-oxidanylidene-4-(phenylazanylmethylidene)cyclohexa-1,5-dien-1-yl] hexadecanoate Openeye Name: [(4Z)-4-(anilinomethylene)-3-oxo-cyclohexa-1,5-dien-1-yl] hexadecanoate CAS Name: hexadecanoic acid [(4Z)-4-(anilinomethylidene)-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-(anilinomethylidene)-3-oxocyclohexa-1,5-dien-1-yl] hexadecanoate Traditional Name: palmitic acid [(4Z)-4-(anilinomethylene)-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(=CNC2=CC=CC=C2)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)/C(=C\NC2=CC=CC=C2)/C=C1

InChI

InChI=1S/C29H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(32)33-27-22-21-25(28(31)23-27)24-30-26-18-15-14-16-19-26/h14-16,18-19,21-24,30H,2-13,17,20H2,1H3/b25-24-