hexadecyl 6,7-dicyanonaphthalene-2-carboxylate

Systemtic Name: hexadecyl 6,7-dicyanonaphthalene-2-carboxylate Openeye Name: hexadecyl 6,7-dicyanonaphthalene-2-carboxylate CAS Name: 6,7-dicyano-2-naphthalenecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 6,7-dicyanonaphthalene-2-carboxylate Traditional Name: 6,7-dicyanonaphthalene-2-carboxylic acid cetyl ester Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-33-29(32)25-17-16-24-19-27(22-30)28(23-31)21-26(24)20-25/h16-17,19-21H,2-15,18H2,1H3