tetrasodium dodecoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium dodecoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium dodecoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tetrasodium dodecoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tetrasodium dodecoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-lauryloxy-phosphinate Formula: C52H108Na4O28P8-8 MolecularWeight: 1521.146288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C13H30O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-20-22(18,19)13(14)21(15,16)17;;;;/h4*13-14H,2-12H2,1H3,(H,18,19)(H2,15,16,17);;;;/q;;;;4*+1/p-12