tetrasodium; 3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile; 2-methylpropanenitrile; disulfate

Systemtic Name: tetrasodium; 3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile; 2-methylpropanenitrile; disulfate Openeye Name: tetrasodium; 3-(2-cyanopropylazo)-2-methyl-propanenitrile; 2-methylpropanenitrile; disulfate CAS Name: tetrasodium; 3-(2-cyanopropylazo)-2-methylpropanenitrile; 2-methylpropanenitrile; disulfate IUPAC Name: tetrasodium; 3-(2-cyanopropyldiazenyl)-2-methylpropanenitrile; 2-methylpropanenitrile; disulfate Traditional Name: tetrasodium; 3-(2-cyanopropylazo)-2-methyl-propionitrile; isobutyronitrile; disulfate Formula: C16H26N6Na4O8S2 MolecularWeight: 586.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#N.CC(C)C#N.CC(CN=NCC(C)C#N)C#N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)C#N.CC(C)C#N.CC(CN=NCC(C)C#N)C#N.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H12N4.2C4H7N.4Na.2H2O4S/c1-7(3-9)5-11-12-6-8(2)4-10;2*1-4(2)3-5;;;;;2*1-5(2,3)4/h7-8H,5-6H2,1-2H3;2*4H,1-2H3;;;;;2*(H2,1,2,3,4)/q;;;4*+1;;/p-4