dihexadecyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5,6-dicarboxylate

Systemtic Name: dihexadecyl 2-oxidanyl-1,3-bis(oxidanylidene)isoindole-5,6-dicarboxylate Openeye Name: dihexadecyl 2-hydroxy-1,3-dioxo-isoindoline-5,6-dicarboxylate CAS Name: 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylic acid dihexadecyl ester IUPAC Name: dihexadecyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate Traditional Name: 2-hydroxy-1,3-diketo-isoindoline-5,6-dicarboxylic acid dicetyl ester Formula: C42H69NO7 MolecularWeight: 699.99976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(C=C2C(=C1)C(=O)N(C2=O)O)C(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C=C2C(=C1)C(=O)N(C2=O)O)C(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H69NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-49-41(46)37-33-35-36(40(45)43(48)39(35)44)34-38(37)42(47)50-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,48H,3-32H2,1-2H3