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Substance Name: Benz(a)anthracene-7-methanediol, diacetate
RN: 17012-91-8
InChIKey: LRTXBMQWXYFKCR-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C23-H18-O4

Molecular Weight

  • 358.391
 
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Names and Synonyms

Synonym

  • 7-Diacetoxymethylbenz(a)anthracene

Systematic Name

  • Benz(a)anthracene-7-methanediol, diacetate

Registry Numbers

CAS Registry Number

  • 17012-91-8

System Generated Number

  • 0017012918

Structure Descriptors

InChI

1S/C23H18O4/c1-14(24)26-23(27-15(2)25)22-19-10-6-4-8-17(19)13-21-18-9-5-3-7-16(18)11-12-20(21)22/h3-13,23H,1-2H3

InChIKey

LRTXBMQWXYFKCR-UHFFFAOYSA-N

Smiles

c12c(cc3c(c1C(OC(=O)C)OC(=O)C)cccc3)c1ccccc1cc2