tetrasodium hexoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium hexoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium hexoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tetrasodium hexoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tetrasodium hexoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tetrasodium hexoxy-[hydroxy(phosphonato)methyl]phosphinate Formula: C28H60Na4O28P8-8 MolecularWeight: 1184.508368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C7H18O7P2.4Na/c4*1-2-3-4-5-6-14-16(12,13)7(8)15(9,10)11;;;;/h4*7-8H,2-6H2,1H3,(H,12,13)(H2,9,10,11);;;;/q;;;;4*+1/p-12