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Substance Name: Benz(a)anthracene-3,4-diol, 12-(hydroxymethyl)-7-methyl-
RN: 78776-42-8
InChIKey: OOMGLGGOTDGCOQ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H16-O3

Molecular Weight

  • 304.343
 
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Names and Synonyms

Synonyms

  • 12-(Hydroxymethyl)-7-methylbenz(a)anthracene-3,4-diol
  • 7-Methyl-12-hydroxymethylbenz(a)anthracene-3,4-diol

Systematic Name

  • Benz(a)anthracene-3,4-diol, 12-(hydroxymethyl)-7-methyl-

Registry Numbers

CAS Registry Number

  • 78776-42-8

System Generated Number

  • 0078776428

Structure Descriptors

InChI

1S/C20H16O3/c1-11-12-4-2-3-5-14(12)17(10-21)19-13(11)6-7-16-15(19)8-9-18(22)20(16)23/h2-9,21-23H,10H2,1H3

InChIKey

OOMGLGGOTDGCOQ-UHFFFAOYSA-N

Smiles

c12c3c(ccc1c(c1ccccc1c2CO)C)c(c(O)cc3)O