diethyl 2-(3,4-dicyanophenyl)-2-hexadecyl-propanedioate

Systemtic Name: diethyl 2-(3,4-dicyanophenyl)-2-hexadecyl-propanedioate Openeye Name: diethyl 2-(3,4-dicyanophenyl)-2-hexadecyl-propanedioate CAS Name: 2-(3,4-dicyanophenyl)-2-hexadecylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(3,4-dicyanophenyl)-2-hexadecylpropanedioate Traditional Name: 2-cetyl-2-(3,4-dicyanophenyl)malonic acid diethyl ester Formula: C31H46N2O4 MolecularWeight: 510.70794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C#N)C#N)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C#N)C#N)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C31H46N2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(29(34)36-5-2,30(35)37-6-3)28-21-20-26(24-32)27(23-28)25-33/h20-21,23H,4-19,22H2,1-3H3