octadecyl 4-cyano-4-[(2-cyano-5-octadecoxy-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoate

Systemtic Name: octadecyl 4-cyano-4-[(2-cyano-5-octadecoxy-5-oxidanylidene-pentan-2-yl)diazenyl]pentanoate Openeye Name: octadecyl 4-cyano-4-(1-cyano-1-methyl-4-octadecoxy-4-oxo-butyl)azo-pentanoate CAS Name: 4-cyano-4-(2-cyano-5-octadecoxy-5-oxopentan-2-yl)azopentanoic acid octadecyl ester IUPAC Name: octadecyl 4-cyano-4-[(2-cyano-5-octadecoxy-5-oxopentan-2-yl)diazenyl]pentanoate Traditional Name: 4-cyano-4-(1-cyano-4-keto-1-methyl-4-stearyloxy-butyl)azo-valeric acid stearyl ester Formula: C48H88N4O4 MolecularWeight: 785.23672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)OCCCCCCCCCCCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)OCCCCCCCCCCCCCCCCCC)C#N

InChI

InChI=1S/C48H88N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-55-45(53)37-39-47(3,43-49)51-52-48(4,44-50)40-38-46(54)56-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-42H2,1-4H3