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Substance Name: Benz(a)anthracene-3-alpha,4-beta-diol, 1,2,3,4-tetrahydro-1-beta,2-beta-epoxy-, (+)-
ID: CW46400700
InChIKey: JNQSJMYLVFOQBK-MLHJIOFPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O3

Molecular Weight

  • 278.3056
 
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Names and Synonyms

Synonym

  • (+)-(1R,2S,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene

Systematic Name

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

Registry Numbers

ID Number

  • NIOSH/CW4640070

System Generated Number

  • CW46400700

Structure Descriptors

InChI

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

InChIKey

JNQSJMYLVFOQBK-MLHJIOFPSA-N

Smiles

O[C@@H]1[C@@H](O)c2ccc3cc4ccccc4cc3c2[C@H]5O[C@@H]15