tetrasodium octadecoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium octadecoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-octadecoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-octadecoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-octadecoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-stearyloxy-phosphinate Formula: C76H156Na4O28P8-8 MolecularWeight: 1857.784208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C19H42O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-28(24,25)19(20)27(21,22)23;;;;/h4*19-20H,2-18H2,1H3,(H,24,25)(H2,21,22,23);;;;/q;;;;4*+1/p-12