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

Systemtic Name: [4-[2,5-bis(oxidanylidene)pyrrol-3-yl]phenyl] hexadecanoate Openeye Name: [4-(2,5-dioxopyrrol-3-yl)phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-(2,5-dioxo-3-pyrrolyl)phenyl] ester IUPAC Name: [4-(2,5-dioxopyrrol-3-yl)phenyl] hexadecanoate Traditional Name: palmitic acid [4-(2,5-diketo-3-pyrrolin-3-yl)phenyl] ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(29)31-22-18-16-21(17-19-22)23-20-24(28)27-26(23)30/h16-20H,2-15H2,1H3,(H,27,28,30)