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Substance Name: Benz(a)anthracene-1-alpha,2-beta-diol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (+-)-(Z)-
ID: CW46400000
InChIKey: DSFRWEJPOFEAGF-MLHJIOFPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.3056
 
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Names and Synonyms

Synonyms

  • (+-)-1-alpha,2-beta-Dihydroxy-3-alpha,4-alpha-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (Z)-
  • (+-)-cis-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene-1-alpha,2-beta-diol

Systematic Name

  • Benz(a)anthracene-1-alpha,2-beta-diol, 1,2,3,4-tetrahydro-3-alpha,4-alpha-epoxy-, (+-)-(Z)-

Registry Numbers

ID Number

  • NIOSH/CW4640000

System Generated Number

  • CW46400000

Structure Descriptors

InChI

1S/C18H14O3/c19-15-14-12(17-18(21-17)16(15)20)6-5-11-7-9-3-1-2-4-10(9)8-13(11)14/h1-8,15-20H/t15-,16+,17+,18-/m0/s1

InChIKey

DSFRWEJPOFEAGF-MLHJIOFPSA-N

Smiles

O[C@@H]1[C@@H](O)c2c(ccc3cc4ccccc4cc23)[C@H]5O[C@@H]15