tetrasodium [oxidanyl(phosphonato)methyl]-undecoxy-phosphinate

Systemtic Name: tetrasodium [oxidanyl(phosphonato)methyl]-undecoxy-phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-undecoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-undecoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-undecoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-undecoxy-phosphinate Formula: C48H100Na4O28P8-8 MolecularWeight: 1465.039968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H28O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-19-21(17,18)12(13)20(14,15)16;;;;/h4*12-13H,2-11H2,1H3,(H,17,18)(H2,14,15,16);;;;/q;;;;4*+1/p-12