tetrasodium octoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium octoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-octoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-octoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-octoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-octoxy-phosphinate Formula: C36H76Na4O28P8-8 MolecularWeight: 1296.721008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C9H22O7P2.4Na/c4*1-2-3-4-5-6-7-8-16-18(14,15)9(10)17(11,12)13;;;;/h4*9-10H,2-8H2,1H3,(H,14,15)(H2,11,12,13);;;;/q;;;;4*+1/p-12