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Substance Name: 9-Hydroxychrysene-1,2-diol-3,4-oxide
RN: 104975-31-7
InChIKey: PAPRUUIWEKWIAZ-VSZNYVQBSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C18-H14-O4

Molecular Weight

  • 294.3046
 
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Names and Synonyms

Name of Substance

  • 9-Hydroxychrysene-1,2-diol-3,4-oxide

Synonyms

  • (E)-1,2,2a,3a-Tetrahydrochryseno(3,4-b)oxirene-1,2,8-triol
  • 1-alpha,2-beta,2a-beta,3a-beta-Tetrahydrochryseno(3,4-b)oxirene-1,2,8-triol
  • 9-Hydroxy-t-1,t-2-dihydroxy-t-3,4-oxy-1,2,3,4-tetrahydrochrysene
  • anti-9-Hydroxychrysenediol 3,4-oxide
  • anti-Chrysenetriol epoxide
  • CCRIS 2034

Systematic Names

  • Chryseno(3,4-b)oxirene-1,2,8-triol, 1,2,2a,3a-tetrahydro-, (1-alpha,2-beta,2a-beta,3a-beta)-
  • syn-9-Hydroxychrysene-1,2-diol-3,4-epoxide

Registry Numbers

CAS Registry Number

  • 104975-31-7

System Generated Number

  • 0104975317

Structure Descriptors

InChI

1S/C18H14O4/c19-9-3-1-8-2-4-11-10(13(8)7-9)5-6-12-14(11)17-18(22-17)16(21)15(12)20/h1-7,15-21H/t15-,16+,17+,18-/m1/s1

InChIKey

PAPRUUIWEKWIAZ-VSZNYVQBSA-N

Smiles

c1cc(cc2c1ccc3c2ccc4c3[C@H]5[C@H](O5)[C@H]([C@@H]4O)O)O