Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- structure

Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-

(12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene

Also Known As: 12b,12c-Dihydro-12b,12c-dimethylbenzo(a)pyrene trans-|(12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene|Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans-|12b,12c-Dimethyl-12b,12c-dihydrobenzo[pqr]tetraphene|12bbeta,12calpha-Dimethyl-12b,12c-dihydrobenzo[a]pyrene|(12bS,12cS)-12b,12c-Dimethyl-12b,12c-dihydrobenzo[pqr]tetraphene|(19S,20S)-19,20-dimethylpentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,10,12,14,16-nonaene

CAS: 66093-76-3
Molecular Formula C22H18
Molecular Weight 282.14084 g/mol
LogP 6.2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
Rotatable Bonds 0
Exact Mass 282.14084
Monoisotopic Mass 282.14084
Heavy Atoms 22
Complexity 736.0

Chemical Identifiers

CAS Number 66093-76-3
SMILES C[C@]12C3=CC=C4[C@@]1(C(=CC5=CC=CC=C54)C=CC2=CC=C3)C
InChIKey KJVCHJCISWBOIL-VXKWHMMOSA-N

Product Overview

Benzo(a)pyrene, 12b,12c-dihydro-12b,12c-dimethyl-, trans- (CAS 66093-76-3), with molecular formula C22H18 and molecular weight 282.14084 g/mol. IUPAC: (12bS,12cS)-12b,12c-dimethylbenzo[a]pyrene.

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