Chem
J-GLOBAL ID：200907016888517280   Nikkaji number：J1.447.457I

Diphosphoric acid P1-[(2E,6E,10E,14E)-3,7,11-trimethyl-15-(2H3)methyl-2,6,10,14-hexadecatetrenyl] ester

二りん酸P1-[(2E,6E,10E,14E)-3,7,11-トリメチル-15-(2H3)メチル-2,6,10,14-ヘキサデカテトラエニル]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H33[2H]3O7P2
Molecular formula furigana： C20-H36-O7-P2
Molecular weight： 453.467
InChI： InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+/i1D3/b17-9-,18-11+,19-13+,20-15+
InChI key： OINNEUNVOZHBOX-YXNUDYFMSA-N
SMILES： C([2H])([2H])([2H])/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C
Systematic name  (3)：
  • 二りん酸P1-[(2E,6E,10E,14E)-3,7,11-トリメチル-15-(2H3)メチル-2,6,10,14-ヘキサデカテトラエニル]
  • {[ヒドロキシ({[(2E,6E,10E,14E)-3,7,11,15-テトラメチル(16,16,16-2H3)ヘキサデカ-2,6,10,14-テトラエン-1-イル]オキシ})ホスホリル]オキシ}ホスホン酸
  • {[hydroxy({[(2E,6E,10E,14E)-3,7,11,15-tetramethyl(16,16,16-2H3)hexadeca-2,6,10,14-tetraen-1-yl]oxy})phosphoryl]oxy}phosphonic acid
Other name (1)：
  • Diphosphoric acid P1-[(2E,6E,10E,14E)-3,7,11-trimethyl-15-(2H3)methyl-2,6,10,14-hexadecatetrenyl] ester
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