hexadecyl 2-naphthalen-1-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexadecyl 2-naphthalen-1-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexadecyl 2-(1-naphthyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1-naphthalenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(1-naphthyl)isoindoline-5-carboxylic acid cetyl ester Formula: C35H43NO4 MolecularWeight: 541.72022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C35H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-40-35(39)28-23-24-30-31(26-28)34(38)36(33(30)37)32-22-18-20-27-19-15-16-21-29(27)32/h15-16,18-24,26H,2-14,17,25H2,1H3