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

Systemtic Name: hexadecyl 2-acetyloxy-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: hexadecyl 2-acetoxy-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-acetyloxy-1,3-dioxo-5-isoindolecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-acetyloxy-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-acetoxy-1,3-diketo-isoindoline-5-carboxylic acid cetyl ester Formula: C27H39NO6 MolecularWeight: 473.60166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)OC(=O)C

InChI

InChI=1S/C27H39NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)22-17-18-23-24(20-22)26(31)28(25(23)30)34-21(2)29/h17-18,20H,3-16,19H2,1-2H3