Chem
J-GLOBAL ID：200907010852862055   Nikkaji number：J1.461.319F

9-Hydroxybenzo[a]pyrene-4,5-oxide

9-ヒドロキシベンゾ[a]ピレン-4,5-オキシド
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： C20H12O2
Molecular formula furigana： C20-H12-O2
Molecular weight： 284.314
InChI： InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H
InChI key： QMJJLPWCBGOGAF-UHFFFAOYSA-N
SMILES： Oc1ccc2cc3C4OC4c4cccc5ccc(c2c1)c3c45
Systematic name  (4)：
  • 4,5-ジヒドロ-4,5-エポキシベンゾ[a]ピレン-9-オール
  • 3b,4a-ジヒドロベンゾ[1,2]ピレノ[4,5-b]オキシレン-8-オール
  • 18-オキサヘキサシクロ[10.7.2.03,8.09,20.016,21.017,19]ヘンイコサ-1,3,5,7,9(20),10,12,14,16(21)-ノナエン-6-オール
  • 18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1,3,5,7,9(20),10,12,14,16(21)-nonaen-6-ol
Other name (5)：
  • 4,5-Dihydro-4,5-epoxybenzo[a]pyrene-9-ol
  • 3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene-8-ol
  • 9-Hydroxybenzo[a]pyrene-4,5-oxide
  • 9-Hydroxybenzo[a]pyrene-4,5-epoxide
  • 9-ヒドロキシベンゾ[a]ピレン-4,5-オキシド
CAS registry number： 61133-85-5
KEGG COMPOUND： C14854
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