trisodium oxidanyl-[(5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-trienyl]phosphinate

Systemtic Name: trisodium oxidanyl-[(5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-trienyl]phosphinate Openeye Name: trisodium hydroxy-[(5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-trienyl]phosphinate CAS Name: trisodium hydroxy-[(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-trienyl]phosphinate IUPAC Name: trisodium hydroxy-[(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-trienyl]phosphinate Traditional Name: trisodium hydroxy-[(5E,9E)-6,10,14-trimethyl-1-phosphonato-pentadeca-5,9,13-trienyl]phosphinate Formula: C18H31Na3O6P2 MolecularWeight: 474.351972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCCC(P(=O)(O)[O-])P(=O)([O-])[O-])C)C)C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CCCC(P(=O)(O)[O-])P(=O)([O-])[O-])/C)/C)C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H34O6P2.3Na/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24;;;/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H2,22,23,24);;;/q;3*+1/p-3/b16-10+,17-13+;;;