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Substance Name: Benz(a)anthracene-7-ethanol, 12-methyl-
RN: 13345-58-9
InChIKey: IXGOHTMJBQGTMH-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C21-H18-O

Molecular Weight

  • 286.372
 
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Names and Synonyms

Synonyms

  • 4-06-00-05104 (Beilstein Handbook Reference)
  • 7-(2-Hydroxyethyl)-12-methylbenz(a)anthracene
  • BRN 3364731

Systematic Name

  • Benz(a)anthracene-7-ethanol, 12-methyl-

Registry Numbers

CAS Registry Number

  • 13345-58-9

System Generated Number

  • 0013345589

Structure Descriptors

InChI

1S/C21H18O/c1-14-16-7-4-5-9-18(16)19(12-13-22)20-11-10-15-6-2-3-8-17(15)21(14)20/h2-11,22H,12-13H2,1H3

InChIKey

IXGOHTMJBQGTMH-UHFFFAOYSA-N

Smiles

c12c(ccc3c(c4ccccc4c(c13)C)CCO)cccc2