Chem
J-GLOBAL ID：201407089178964632   Nikkaji number：J3.301.354J

6,8-Dinitrosoepicatechin

6,8-ジニトロソエピカテキン
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： C15H12N2O8
Molecular formula furigana： C15-H12-N2-O8
Molecular weight： 348.267
InChI： InChI=1S/C15H12N2O8/c18-7-2-1-5(3-8(7)19)14-9(20)4-6-12(21)10(16-23)13(22)11(17-24)15(6)25-14/h1-3,9,14,18-22H,4H2/t9-,14-/m1/s1
InChI key： DMKUWBRQIHWWFV-YMTOWFKASA-N
SMILES： O[C@@H]1Cc2c(O)c(N=O)c(O)c(N=O)c2O[C@@H]1c1ccc(O)c(O)c1
Systematic name  (3)：
  • 2α-(3,4-ジヒドロキシフェニル)-6,8-ジニトロソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3α,5,7-トリオール
  • (2R,3R)-2-(3,4-ジヒドロキシフェニル)-6,8-ジニトロソ-3,4-ジヒドロ-2H-1-ベンゾピラン-3,5,7-トリオール
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-6,8-dinitroso-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Other name (3)：
  • 2α-(3,4-Dihydroxyphenyl)-6,8-dinitroso-3,4-dihydro-2H-1-benzopyran-3α,5,7-triol
  • 6,8-ジニトロソエピカテキン
  • 6,8-Dinitrosoepicatechin
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