trisodium [(E)-heptadec-1-enoxy]-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: trisodium [(E)-heptadec-1-enoxy]-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: trisodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate CAS Name: trisodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: trisodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: trisodium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Formula: C18H35Na3O7P2 MolecularWeight: 494.383132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/OP(=O)(C(O)P(=O)([O-])[O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H38O7P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-27(23,24)18(19)26(20,21)22;;;/h16-19H,2-15H2,1H3,(H,23,24)(H2,20,21,22);;;/q;3*+1/p-3/b17-16+;;;