Chem
J-GLOBAL ID：200907037019223761   Nikkaji number：J957.722J

(2H12)Benzo(a)pyrene

(2H12)ベンゾ[a]ピレン
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： C20[2H]12
Molecular formula furigana： C20-H12
Molecular weight： 264.389
InChI： InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI key： FMMWHPNWAFZXNH-AQZSQYOVSA-N
SMILES： c1([2H])c([2H])c([2H])c2c(c1[2H])c([2H])c1c([2H])c([2H])c3c([2H])c([2H])c([2H])c4c([2H])c([2H])c2c1c34
Systematic name  (3)：
  • (2H12)ベンゾ[a]ピレン
  • (2H12)ペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2,4,6,8,10,12,14,16,19-デカエン
  • (2H12)pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
Other name (1)：
  • (2H12)Benzo[a]pyrene
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