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Substance Name: Benzo(a)pyrenetetrol II 1
RN: 61490-67-3
InChIKey: KWFVZAJQUSRMCC-VNTMZGSJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H16-O4

Molecular Weight

  • 320.3424
 
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Names and Synonyms

Name of Substance

  • Benzo(a)pyrenetetrol II 1

Synonyms

  • 7,8,9,10-Tetrahydroxytetrahydrobenzo(a)pyrene
  • 7-beta,8-alpha,9-beta,10-alpha-Tetrahydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene

Systematic Name

  • Benzo(a)pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7-alpha,8-beta,9-alpha,10-beta)-

Registry Numbers

CAS Registry Number

  • 61490-67-3

Other Registry Number

  • 62697-17-0

System Generated Number

  • 0061490673

Structure Descriptors

InChI

1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20+/m0/s1

InChIKey

KWFVZAJQUSRMCC-VNTMZGSJSA-N

Smiles

c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]([C@@H]([C@H]4O)O)O)O