disodium [1-[oxidanidyl(oxidanyl)phosphoryl]-1-oxidanyl-3-(4-phenylbutylamino)propyl]-oxidanyl-phosphinate

Systemtic Name: disodium [1-[oxidanidyl(oxidanyl)phosphoryl]-1-oxidanyl-3-(4-phenylbutylamino)propyl]-oxidanyl-phosphinate Openeye Name: disodium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]-3-(4-phenylbutylamino)propyl]phosphinate CAS Name: disodium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]-3-(4-phenylbutylamino)propyl]phosphinate IUPAC Name: disodium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]-3-(4-phenylbutylamino)propyl]phosphinate Traditional Name: disodium hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]-3-(4-phenylbutylamino)propyl]phosphinate Formula: C13H21NNa2O7P2 MolecularWeight: 411.235402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO7P2.2Na/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12;;/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21);;/q;2*+1/p-2