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Substance Name: Phenol, (1,2-dihydro-3-methylbenz(j)aceanthrylen-11-yl)-
RN: 56803-43-1
InChIKey: XYLWWURMPDIFDV-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H20-O

Molecular Weight

  • 360.454
 
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Names and Synonyms

Synonyms

  • 3-Methylcholanthrene-11-phenol
  • Benz(j)aceanthrylene, phenol deriv.

Systematic Name

  • Phenol, (1,2-dihydro-3-methylbenz(j)aceanthrylen-11-yl)-

Registry Numbers

CAS Registry Number

  • 56803-43-1

System Generated Number

  • 0056803431

Structure Descriptors

InChI

1S/C27H20O/c1-16-10-11-17-14-23-19-6-2-3-7-20(19)24(21-8-4-5-9-26(21)28)15-25(23)22-13-12-18(16)27(17)22/h2-11,14-15,28H,12-13H2,1H3

InChIKey

XYLWWURMPDIFDV-UHFFFAOYSA-N

Smiles

c1(c(cccc1)c1c2c(c3cc4ccc(c5CCc(c3c1)c45)C)cccc2)O