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

Systemtic Name: [(4Z)-3-oxidanylidene-4-(phenylazanylmethylidene)cyclohexa-1,5-dien-1-yl] octadecanoate Openeye Name: [(4Z)-4-(anilinomethylene)-3-oxo-cyclohexa-1,5-dien-1-yl] octadecanoate CAS Name: octadecanoic acid [(4Z)-4-(anilinomethylidene)-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-(anilinomethylidene)-3-oxocyclohexa-1,5-dien-1-yl] octadecanoate Traditional Name: stearic acid [(4Z)-4-(anilinomethylene)-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C31H45NO3 MolecularWeight: 479.6939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(34)35-29-24-23-27(30(33)25-29)26-32-28-20-17-16-18-21-28/h16-18,20-21,23-26,32H,2-15,19,22H2,1H3/b27-26-