Chem
J-GLOBAL ID：200907076571319957   Nikkaji number：J690.167K

Diphthiocol

ジフチオコール
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： C21H12O6
Molecular formula furigana： C21-H12-O6
Molecular weight： 360.321
InChI： InChI=1S/C21H12O6/c22-16-10-5-1-3-7-12(10)18(24)20(26)14(16)9-15-17(23)11-6-2-4-8-13(11)19(25)21(15)27/h1-8,26-27H,9H2
InChI key： IZSITCOQYPAKPE-UHFFFAOYSA-N
SMILES： OC1=C(CC2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O
Systematic name  (5)：
  • 2,2′-ジヒドロキシ-[3,3′-メチレンビス(1,4-ナフトキノン)]
  • 2,2′-メチレンビス(3-ヒドロキシ-1,4-ナフトキノン)
  • 3,3′-メチレンビス(2-ヒドロキシ-1,4-ナフトキノン)
  • 2-ヒドロキシ-3-[(3-ヒドロキシ-1,4-ジオキソ-1,4-ジヒドロナフタレン-2-イル)メチル]-1,4-ジヒドロナフタレン-1,4-ジオン
  • 2-hydroxy-3-[(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl]-1,4-dihydronaphthalene-1,4-dione
Other name (5)：
  • ジフチオコール
  • Diphthiocol
  • 2,2′-Dihydroxy-[3,3′-methylenebis(1,4-naphthoquinone)]
  • 2,2′-Methylenebis(3-hydroxy-1,4-naphthoquinone)
  • 3,3′-Methylenebis(2-hydroxy-1,4-naphthoquinone)
CAS registry number： 4195-02-2
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