didodecyl 5-[(4,5-dicyano-2-methyl-phenyl)methyl]benzene-1,3-dicarboxylate

Systemtic Name: didodecyl 5-[(4,5-dicyano-2-methyl-phenyl)methyl]benzene-1,3-dicarboxylate Openeye Name: didodecyl 5-[(4,5-dicyano-2-methyl-phenyl)methyl]benzene-1,3-dicarboxylate CAS Name: 5-[(4,5-dicyano-2-methylphenyl)methyl]benzene-1,3-dicarboxylic acid didodecyl ester IUPAC Name: didodecyl 5-[(4,5-dicyano-2-methylphenyl)methyl]benzene-1,3-dicarboxylate Traditional Name: 5-(4,5-dicyano-2-methyl-benzyl)benzene-1,3-dicarboxylic acid dilauryl ester Formula: C42H60N2O4 MolecularWeight: 656.9368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)CC2=C(C=C(C(=C2)C#N)C#N)C)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)CC2=C(C=C(C(=C2)C#N)C#N)C)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C42H60N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-47-41(45)37-28-35(27-36-30-40(33-44)39(32-43)26-34(36)3)29-38(31-37)42(46)48-25-23-21-19-17-15-13-11-9-7-5-2/h26,28-31H,4-25,27H2,1-3H3