trisodium [(E)-heptadec-1-enoxy]-(2-oxidanyl-1-phosphonato-ethyl)phosphinate

Systemtic Name: trisodium [(E)-heptadec-1-enoxy]-(2-oxidanyl-1-phosphonato-ethyl)phosphinate Openeye Name: trisodium [(E)-heptadec-1-enoxy]-(2-hydroxy-1-phosphonato-ethyl)phosphinate CAS Name: trisodium [(E)-heptadec-1-enoxy]-(2-hydroxy-1-phosphonatoethyl)phosphinate IUPAC Name: trisodium [(E)-heptadec-1-enoxy]-(2-hydroxy-1-phosphonatoethyl)phosphinate Traditional Name: trisodium [(E)-heptadec-1-enoxy]-(2-hydroxy-1-phosphonato-ethyl)phosphinate Formula: C19H37Na3O7P2 MolecularWeight: 508.409712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H40O7P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-28(24,25)19(18-20)27(21,22)23;;;/h16-17,19-20H,2-15,18H2,1H3,(H,24,25)(H2,21,22,23);;;/q;3*+1/p-3/b17-16+;;;