tetrasodium nonadecoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium nonadecoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-nonadecoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-nonadecoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-nonadecoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-nonadecoxy-phosphinate Formula: C80H164Na4O28P8-8 MolecularWeight: 1913.890528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C20H44O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-29(25,26)20(21)28(22,23)24;;;;/h4*20-21H,2-19H2,1H3,(H,25,26)(H2,22,23,24);;;;/q;;;;4*+1/p-12