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

Systemtic Name: tetrasodium [oxidanyl(phosphonato)methyl]-tridecoxy-phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-tridecoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-tridecoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-tridecoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-tridecoxy-phosphinate Formula: C56H116Na4O28P8-8 MolecularWeight: 1577.252608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C14H32O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-21-23(19,20)14(15)22(16,17)18;;;;/h4*14-15H,2-13H2,1H3,(H,19,20)(H2,16,17,18);;;;/q;;;;4*+1/p-12