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Substance Name: Benz(a)anthracene-7-methanol, 12-methyl-, acetate
RN: 2517-98-8
InChIKey: QZBZIXDRHVAJSX-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C22-H18-O2

Molecular Weight

  • 314.382
 
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Names and Synonyms

Synonyms

  • 12-Methylbenz(a)anthracene-7-methanol acetate (ester)
  • 7-Acetoxymethyl-12-methylbenz(a)anthracene
  • BRN 2001589
  • CCRIS 2799

Systematic Names

  • 7-Acetoxymethyl-12-methylbenz(a)anthracene
  • Benz(a)anthracene-7-methanol, 12-methyl-, acetate

Registry Numbers

CAS Registry Number

  • 2517-98-8

System Generated Number

  • 0002517988

Structure Descriptors

InChI

1S/C22H18O2/c1-14-17-8-5-6-10-19(17)21(13-24-15(2)23)20-12-11-16-7-3-4-9-18(16)22(14)20/h3-12H,13H2,1-2H3

InChIKey

QZBZIXDRHVAJSX-UHFFFAOYSA-N

Smiles

c12c(c(COC(=O)C)c3c(c1C)cccc3)ccc1c2cccc1