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

Systemtic Name: triazanium [(E)-heptadec-1-enoxy]-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: triammonium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate CAS Name: triammonium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: triazanium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: triammonium [(E)-heptadec-1-enoxy]-[hydroxy(phosphonato)methyl]phosphinate Formula: C18H47N3O7P2 MolecularWeight: 479.529202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=COP(=O)(C(O)P(=O)([O-])[O-])[O-].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/OP(=O)(C(O)P(=O)([O-])[O-])[O-].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C18H38O7P2.3H3N/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);3*1H3/b17-16+;;;