pentadecyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: pentadecyl 2-(3-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: pentadecyl 2-(m-tolyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylphenyl)-1,3-dioxo-5-isoindolecarboxylic acid pentadecyl ester IUPAC Name: pentadecyl 2-(3-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(m-tolyl)isoindoline-5-carboxylic acid pentadecyl ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-36-31(35)25-19-20-27-28(23-25)30(34)32(29(27)33)26-18-16-17-24(2)22-26/h16-20,22-23H,3-15,21H2,1-2H3