trisodium oxidanyl-[1-oxidanyl-6-(phenylmethoxycarbonylamino)-1-phosphonato-hexyl]phosphinate

Systemtic Name: trisodium oxidanyl-[1-oxidanyl-6-(phenylmethoxycarbonylamino)-1-phosphonato-hexyl]phosphinate Openeye Name: trisodium [6-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonato-hexyl]-hydroxy-phosphinate CAS Name: trisodium hydroxy-[1-hydroxy-6-(phenylmethoxycarbonylamino)-1-phosphonatohexyl]phosphinate IUPAC Name: trisodium hydroxy-[1-hydroxy-6-(phenylmethoxycarbonylamino)-1-phosphonatohexyl]phosphinate Traditional Name: trisodium [6-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonato-hexyl]-hydroxy-phosphinate Formula: C14H20NNa3O9P2 MolecularWeight: 477.226732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO9P2.3Na/c16-13(24-11-12-7-3-1-4-8-12)15-10-6-2-5-9-14(17,25(18,19)20)26(21,22)23;;;/h1,3-4,7-8,17H,2,5-6,9-11H2,(H,15,16)(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-3