trisodium 4-cyanobutylsulfanyl(phosphonatooxy)phosphinate

Systemtic Name: trisodium 4-cyanobutylsulfanyl(phosphonatooxy)phosphinate Openeye Name: trisodium 4-cyanobutylsulfanyl(phosphonatooxy)phosphinate CAS Name: trisodium (4-cyanobutylthio)-phosphonatooxyphosphinate IUPAC Name: trisodium 4-cyanobutylsulfanyl(phosphonatooxy)phosphinate Traditional Name: trisodium (4-cyanobutylthio)-phosphato-phosphinate Formula: C5H8NNa3O6P2S MolecularWeight: 341.101952

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Descriptors Computed from Structure

Canonical SMILES:

C(CCSP(=O)([O-])OP(=O)([O-])[O-])CC#N.[Na+].[Na+].[Na+]

Isomeric SMILES

C(CCSP(=O)([O-])OP(=O)([O-])[O-])CC#N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H11NO6P2S.3Na/c6-4-2-1-3-5-15-14(10,11)12-13(7,8)9;;;/h1-3,5H2,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3