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Substance Name: 3,4-Dihydroxy-1,2-epoxy 1,2,3,4-tetrahydrodibenzo(a,e)fluoranthene
RN: 85057-67-6
InChIKey: UXERMJWUEOEVIA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C24-H16-O3

Molecular Weight

  • 352.387
 
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Names and Synonyms

Name of Substance

  • 3,4-Dihydroxy-1,2-epoxy 1,2,3,4-tetrahydrodibenzo(a,e)fluoranthene

Synonym

  • 3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenzo(a,e)fluoranthene

Systematic Name

  • Dibenz(2,3:4,5)acephenanthryleno(9,10-b)oxirene-7,8-diol, 5c,6a,7,8-tetrahydro-, (5c-alpha,6a-alpha,7-beta,8-alpha)-

Registry Numbers

CAS Registry Number

  • 85057-67-6

System Generated Number

  • 0085057676

Structure Descriptors

InChI

1S/C24H16O3/c25-21-20-17(23-24(27-23)22(21)26)10-16-12-6-2-1-5-11(12)9-15-13-7-3-4-8-14(13)19(20)18(15)16/h1-10,21-26H

InChIKey

UXERMJWUEOEVIA-UHFFFAOYSA-N

Smiles

c12c(cc3c4c(cc5c6ccccc6c1c35)cccc4)[C@@H]1[C@@H]([C@@H]([C@@H]2O)O)O1