Chem
J-GLOBAL ID:200907016743793157   Nikkaji number:J592.367K

(Benzo[a]pyren-6-yl)methanesulfonic acid

(ベンゾ[a]ピレン-6-イル)メタンスルホン酸
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: C21H14O3S
Molecular formula furigana: C21-H14-O3-S
Molecular weight: 346.400
InChI: InChI=1S/C21H14O3S/c22-25(23,24)12-19-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(19)21(17)20(13)14/h1-11H,12H2,(H,22,23,24)
InChI key: TZTNTMXKNDNATN-UHFFFAOYSA-N
SMILES: OS(=O)(=O)Cc1c2ccccc2c2ccc3cccc4ccc1c2c34
Systematic name  (3):
  • (ベンゾ[a]ピレン-6-イル)メタンスルホン酸
  • {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-8-イル}メタンスルホン酸
  • {pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16,19-decaen-8-yl}methanesulfonic acid
Other name (1):
  • (Benzo[a]pyren-6-yl)methanesulfonic acid
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