sodium 2,2-diphosphonatobutanenitrile

Systemtic Name: sodium 2,2-diphosphonatobutanenitrile Openeye Name: sodium 2,2-diphosphonatobutanenitrile CAS Name: sodium 2,2-diphosphonatobutanenitrile IUPAC Name: sodium 2,2-diphosphonatobutanenitrile Traditional Name: sodium 2,2-diphosphonatobutyronitrile Formula: C8H10N2NaO12P4-7 MolecularWeight: 473.056014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(P(=O)([O-])[O-])P(=O)([O-])[O-].CCC(C#N)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+]

Isomeric SMILES

CCC(C#N)(P(=O)([O-])[O-])P(=O)([O-])[O-].CCC(C#N)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+]

InChI

InChI=1S/2C4H9NO6P2.Na/c2*1-2-4(3-5,12(6,7)8)13(9,10)11;/h2*2H2,1H3,(H2,6,7,8)(H2,9,10,11);/q;;+1/p-8