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Substance Name: 3-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-ol
RN: 111189-56-1
InChIKey: DMRGCEPLBITSLQ-UHFFFAOYSA-N

Molecular Formula

  • C26-H21-Cl-O

Molecular Weight

  • 384.904
 
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Names and Synonyms

  • 3-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-ol

Registry Numbers

CAS Registry Number

  • 111189-56-1

System Generated Number

  • 0111189561

Structure Descriptors

InChI

1S/C26H21ClO/c27-26-22-7-2-1-6-19(22)21-13-12-20-18(16-4-3-5-17(28)14-16)10-8-15-9-11-23(26)25(21)24(15)20/h1-2,6-13,16-17,28H,3-5,14H2

InChIKey

DMRGCEPLBITSLQ-UHFFFAOYSA-N

Smiles

C1[C@@H](CCC[C@@H]1c1ccc2ccc3c(c4c(c5ccc1c2c35)cccc4)Cl)O