tetrasodium hexadecoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: tetrasodium hexadecoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: tetrasodium hexadecoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: tetrasodium hexadecoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: tetrasodium hexadecoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: tetrasodium cetyloxy-[hydroxy(phosphonato)methyl]phosphinate Formula: C68H140Na4O28P8-8 MolecularWeight: 1745.571568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C17H38O7P2.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-26(22,23)17(18)25(19,20)21;;;;/h4*17-18H,2-16H2,1H3,(H,22,23)(H2,19,20,21);;;;/q;;;;4*+1/p-12