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Substance Name: syn-BA-Diolepoxide
ID: CX30735000
InChIKey: OSWWNOZGVARRII-PQGBOPJBSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 280.3214
 
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Names and Synonyms

Results Name

  • syn-BA-Diolepoxide

Synonyms

  • (+-)-trans-7,8-Dihydroxy-syn-9,10-epoxy-7,8,9,10-tetrahydrobenz(a)anthracene
  • syn-BA-Diolepoxide

Systematic Name

  • Benz(a)anthracene, 7,8,9,10-tetrahydro-trans-7,8-dihydroxy-cis-9,10-epoxy-, (+-)-

Registry Numbers

ID Number

  • NIOSH/CX3073500

System Generated Number

  • CX30735000

Structure Descriptors

InChI

1S/C18H16O3/c19-16-12-6-5-9-3-1-2-4-11(9)13(12)7-10-8-14-18(21-14)17(20)15(10)16/h1-2,4-8,14-20H,3H2/t14-,15?,16?,17?,18-/m0/s1

InChIKey

OSWWNOZGVARRII-PQGBOPJBSA-N

Smiles

OC1[C@H]2O[C@H]2C=C3C=C4C(=CC=C5CC=CC=C45)C(O)C13