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Substance Name: Cyclohexan-1-ol, 2-benzo(a)pyren-6-yl-
RN: 111209-31-5
InChIKey: MRRGFAYNKJTXJK-UHFFFAOYSA-N

Molecular Formula

  • C26-H22-O

Molecular Weight

  • 350.459
 
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Names and Synonyms

Synonym

  • 2-Benzo(a)pyren-6-ylcyclohexan-1-ol

Systematic Name

  • Cyclohexan-1-ol, 2-benzo(a)pyren-6-yl-

Registry Numbers

CAS Registry Number

  • 111209-31-5

System Generated Number

  • 0111209315

Structure Descriptors

InChI

1S/C26H22O/c27-23-11-4-3-10-21(23)25-19-9-2-1-8-18(19)20-14-12-16-6-5-7-17-13-15-22(25)26(20)24(16)17/h1-2,5-9,12-15,21,23,27H,3-4,10-11H2

InChIKey

MRRGFAYNKJTXJK-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H](CCC1)O)c1c2c(c3ccc4cccc5ccc1c3c45)cccc2