sodium 4-[[2-cyano-5-(2-methylundecylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoate

Systemtic Name: sodium 4-[[2-cyano-5-(2-methylundecylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoate Openeye Name: sodium 4-[1-cyano-1-methyl-4-(2-methylundecylamino)-4-oxo-butyl]azo-4-isocyano-pentanoate CAS Name: sodium 4-[2-cyano-5-(2-methylundecylamino)-5-oxopentan-2-yl]azo-4-isocyanopentanoate IUPAC Name: sodium 4-[[2-cyano-5-(2-methylundecylamino)-5-oxopentan-2-yl]diazenyl]-4-isocyanopentanoate Traditional Name: sodium 4-[1-cyano-4-keto-1-methyl-4-(2-methylundecylamino)butyl]azo-4-isocyano-valerate Formula: C24H40N5NaO3 MolecularWeight: 469.59587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)[O-])[N+]#[C-].[Na+]

Isomeric SMILES

CCCCCCCCCC(C)CNC(=O)CCC(C)(C#N)N=NC(C)(CCC(=O)[O-])[N+]#[C-].[Na+]

InChI

InChI=1S/C24H41N5O3.Na/c1-6-7-8-9-10-11-12-13-20(2)18-27-21(30)14-16-23(3,19-25)28-29-24(4,26-5)17-15-22(31)32;/h20H,6-18H2,1-4H3,(H,27,30)(H,31,32);/q;+1/p-1