2-[1,3-diphosphonato-2-(phosphonatomethyl)propan-2-yl]-2-phosphonato-propanedinitrile

Systemtic Name: 2-[1,3-diphosphonato-2-(phosphonatomethyl)propan-2-yl]-2-phosphonato-propanedinitrile Openeye Name: 2-phosphonato-2-[2-phosphonato-1,1-bis(phosphonatomethyl)ethyl]propanedinitrile CAS Name: 2-[1,3-diphosphonato-2-(phosphonatomethyl)propan-2-yl]-2-phosphonatopropanedinitrile IUPAC Name: 2-[1,3-diphosphonato-2-(phosphonatomethyl)propan-2-yl]-2-phosphonatopropanedinitrile Traditional Name: 2-phosphonato-2-[2-phosphonato-1,1-bis(phosphonatomethyl)ethyl]malononitrile Formula: C7H6N2O12P4-8 MolecularWeight: 434.023784

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CP(=O)([O-])[O-])(CP(=O)([O-])[O-])C(C#N)(C#N)P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

C(C(CP(=O)([O-])[O-])(CP(=O)([O-])[O-])C(C#N)(C#N)P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C7H14N2O12P4/c8-1-7(2-9,25(19,20)21)6(3-22(10,11)12,4-23(13,14)15)5-24(16,17)18/h3-5H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)/p-8