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Substance Name: 2-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-ol
RN: 111189-45-8
InChIKey: MQMVQNOMEQKPSY-UHFFFAOYSA-N

Molecular Formula

  • C26-H21-Cl-O

Molecular Weight

  • 384.904
 
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Names and Synonyms

  • 2-(6-Chlorobenzo(a)pyren-1-yl)cyclohexan-1-ol

Registry Numbers

CAS Registry Number

  • 111189-45-8

System Generated Number

  • 0111189458

Structure Descriptors

InChI

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

InChIKey

MQMVQNOMEQKPSY-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H](CCC1)O)c1ccc2ccc3c(c4c(c5ccc1c2c35)cccc4)Cl