triazanium phosphonatooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-phosphinate

Systemtic Name: triazanium phosphonatooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-phosphinate Openeye Name: triammonium phosphonatooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-phosphinate CAS Name: triammonium phosphonatooxy-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]phosphinate IUPAC Name: triazanium phosphonatooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylphosphinate Traditional Name: triammonium phosphato-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]phosphinate Formula: C15H37N3O6P2S MolecularWeight: 449.483302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSP(=O)([O-])OP(=O)([O-])[O-])C)C)C.[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C.[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C15H28O6P2S.3H3N/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18;;;/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18);3*1H3/b14-9+,15-11+;;;