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

Systemtic Name: tetrasodium [oxidanyl(phosphonato)methyl]-pentadecoxy-phosphinate Openeye Name: tetrasodium [hydroxy(phosphonato)methyl]-pentadecoxy-phosphinate CAS Name: tetrasodium [hydroxy(phosphonato)methyl]-pentadecoxyphosphinate IUPAC Name: tetrasodium [hydroxy(phosphonato)methyl]-pentadecoxyphosphinate Traditional Name: tetrasodium [hydroxy(phosphonato)methyl]-pentadecoxy-phosphinate Formula: C64H132Na4O28P8-8 MolecularWeight: 1689.465248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C16H36O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-25(21,22)16(17)24(18,19)20;;;;/h4*16-17H,2-15H2,1H3,(H,21,22)(H2,18,19,20);;;;/q;;;;4*+1/p-12