hexadecyl 2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: hexadecyl 2-(3,4-dimethylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexadecyl 2-(3,4-dimethylphenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3,4-dimethylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-(3,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3,4-dimethylphenyl)-1,3-diketo-isoindoline-5-carboxylic acid cetyl ester Formula: C33H45NO4 MolecularWeight: 519.7147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-38-33(37)27-19-21-29-30(24-27)32(36)34(31(29)35)28-20-18-25(2)26(3)23-28/h18-21,23-24H,4-17,22H2,1-3H3