Chem
J-GLOBAL ID：201707018437611237   Nikkaji number：J3.652.583E

1-(2,2-Diphosphono-2-hydroxyethyl)-3-hexyl-1H-imidazole-3-ium

1-(2,2-ジホスホノ-2-ヒドロキシエチル)-3-ヘキシル-1H-イミダゾール-3-イウム
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： C11H23N[N+]O7P2
Molecular formula furigana： C11-H23-N2-O7-P2
Molecular weight： 357.259
InChI： InChI=1S/C11H22N2O7P2/c1-2-3-4-5-6-12-7-8-13(10-12)9-11(14,21(15,16)17)22(18,19)20/h7-8,10,14H,2-6,9H2,1H3,(H3-,15,16,17,18,19,20)/p+1
InChI key： JMMDOVQLBCYRNZ-UHFFFAOYSA-O
SMILES： CCCCCC[n+]1ccn(CC(O)(P(=O)(O)O)P(=O)(O)O)c1
Systematic name  (3)：
  • 1-(2,2-ジホスホノ-2-ヒドロキシエチル)-3-ヘキシル-1H-イミダゾール-3-イウム
  • 3-ヘキシル-1-(2-ヒドロキシ-2,2-ジホスホノエチル)-1H-イミダゾール-3-イウム
  • 3-hexyl-1-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium
Other name (1)：
  • 1-(2,2-Diphosphono-2-hydroxyethyl)-3-hexyl-1H-imidazole-3-ium
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