trisodium oxidanyl-[1-oxidanyl-4-(phenylmethoxycarbonylamino)-1-phosphonato-butyl]phosphinate

Systemtic Name: trisodium oxidanyl-[1-oxidanyl-4-(phenylmethoxycarbonylamino)-1-phosphonato-butyl]phosphinate Openeye Name: trisodium [4-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonato-butyl]-hydroxy-phosphinate CAS Name: trisodium hydroxy-[1-hydroxy-4-(phenylmethoxycarbonylamino)-1-phosphonatobutyl]phosphinate IUPAC Name: trisodium hydroxy-[1-hydroxy-4-(phenylmethoxycarbonylamino)-1-phosphonatobutyl]phosphinate Traditional Name: trisodium [4-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonato-butyl]-hydroxy-phosphinate Formula: C12H16NNa3O9P2 MolecularWeight: 449.173572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H19NO9P2.3Na/c14-11(22-9-10-5-2-1-3-6-10)13-8-4-7-12(15,23(16,17)18)24(19,20)21;;;/h1-3,5-6,15H,4,7-9H2,(H,13,14)(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-3