[4-[2,5-bis(oxidanylidene)pyrrol-3-yl]phenyl] octadecanoate

Systemtic Name: [4-[2,5-bis(oxidanylidene)pyrrol-3-yl]phenyl] octadecanoate Openeye Name: [4-(2,5-dioxopyrrol-3-yl)phenyl] octadecanoate CAS Name: octadecanoic acid [4-(2,5-dioxo-3-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dioxopyrrol-3-yl)phenyl] octadecanoate Traditional Name: stearic acid [4-(2,5-diketo-3-pyrrolin-3-yl)phenyl] ester Formula: C28H41NO4 MolecularWeight: 455.62944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)33-24-20-18-23(19-21-24)25-22-26(30)29-28(25)32/h18-22H,2-17H2,1H3,(H,29,30,32)