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

Systemtic Name: hexadecyl 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: hexadecyl 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid cetyl ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-36-31(35)25-21-22-27-28(24-25)30(34)32(29(27)33)26-19-16-15-17-20-26/h15-17,19-22,24H,2-14,18,23H2,1H3