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

Systemtic Name: sodium 4-[[2-cyano-5-(2-methyltricosylamino)-5-oxidanylidene-pentan-2-yl]diazenyl]-4-isocyano-pentanoate Openeye Name: sodium 4-[1-cyano-1-methyl-4-(2-methyltricosylamino)-4-oxo-butyl]azo-4-isocyano-pentanoate CAS Name: sodium 4-[2-cyano-5-(2-methyltricosylamino)-5-oxopentan-2-yl]azo-4-isocyanopentanoate IUPAC Name: sodium 4-[[2-cyano-5-(2-methyltricosylamino)-5-oxopentan-2-yl]diazenyl]-4-isocyanopentanoate Traditional Name: sodium 4-[1-cyano-4-keto-1-methyl-4-(2-methyltricosylamino)butyl]azo-4-isocyano-valerate Formula: C36H64N5NaO3 MolecularWeight: 637.91483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H65N5O3.Na/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(2)30-39-33(42)26-28-35(3,31-37)40-41-36(4,38-5)29-27-34(43)44;/h32H,6-30H2,1-4H3,(H,39,42)(H,43,44);/q;+1/p-1