docosyl 6,7-dicyanonaphthalene-2-carboxylate

Systemtic Name: docosyl 6,7-dicyanonaphthalene-2-carboxylate Openeye Name: docosyl 6,7-dicyanonaphthalene-2-carboxylate CAS Name: 6,7-dicyano-2-naphthalenecarboxylic acid docosyl ester IUPAC Name: docosyl 6,7-dicyanonaphthalene-2-carboxylate Traditional Name: 6,7-dicyanonaphthalene-2-carboxylic acid behenyl ester Formula: C35H50N2O2 MolecularWeight: 530.7837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N

InChI

InChI=1S/C35H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-39-35(38)31-23-22-30-25-33(28-36)34(29-37)27-32(30)26-31/h22-23,25-27H,2-21,24H2,1H3