Chem
J-GLOBAL ID：200907017599883347   Nikkaji number：J1.936.640E

Diphosphoric acid α-[3,7,11-tri(13C)methyl-2,6,10-(1,5,9-13C3)dodecatrienyl] ester

二りん酸α-[3,7,11-トリ(13C)メチル-2,6,10-(1,5,9-13C3)ドデカトリエニル]
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： C9[13C]6H28O7P2
Molecular formula furigana： C15-H28-O7-P2
Molecular weight： 388.284
InChI： InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/i1+1,3+1,4+1,5+1,6+1,12+1
InChI key： VWFJDQUYCIWHTN-LFOJBCSISA-N
SMILES： CC(=C[13CH2]CC(=C[13CH2]CC(=C[13CH2]OP(=O)(O)OP(=O)(O)O)[13CH3])[13CH3])[13CH3]
Systematic name  (3)：
  • 二りん酸α-[3,7,11-トリ(13C)メチル-2,6,10-(1,5,9-13C3)ドデカトリエニル]
  • {[ヒドロキシ({[3,7,11-トリ(13C)メチル(1,5,9-13C3)ドデカ-2,6,10-トリエン-1-イル]オキシ})ホスホリル]オキシ}ホスホン酸
  • {[hydroxy({[3,7,11-tri(13C)methyl(1,5,9-13C3)dodeca-2,6,10-trien-1-yl]oxy})phosphoryl]oxy}phosphonic acid
Other name (1)：
  • Diphosphoric acid α-[3,7,11-tri(13C)methyl-2,6,10-(1,5,9-13C3)dodecatrienyl] ester
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