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Details

Stereochemistry RACEMIC
Molecular Formula C20H14O3
Molecular Weight 302.3234
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, SYN-(±)-

SMILES

O[C@H]1[C@@H]2O[C@@H]2C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3[C@@H]1O

InChI

InChIKey=DQEPMTIXHXSFOR-NMLBUPMWSA-N
InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H14O3
Molecular Weight 302.3234
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:33:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:33:09 GMT 2023
Record UNII
8942B964DU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, SYN-(±)-
Common Name English
BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7.ALPHA.,8.BETA.,8A.BETA.,9A.BETA.)-(±)-
Systematic Name English
BENZO(A)PYRENEDIOLEPOXIDE, SYN-
Common Name English
SYN-BPDE, (±)-
Common Name English
(7.ALPHA.,8.BETA.,9.ALPHA.,10.ALPHA.)-BENZO(A)PYRENE-7,8-DIHYDRODIOL-9,10-EPOXIDE
Systematic Name English
BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R,8S,8AR,9AS)-REL-
Systematic Name English
SYN-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (±)-TRANS-
Common Name English
Code System Code Type Description
FDA UNII
8942B964DU
Created by admin on Sat Dec 16 11:33:09 GMT 2023 , Edited by admin on Sat Dec 16 11:33:09 GMT 2023
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EPA CompTox
DTXSID901031974
Created by admin on Sat Dec 16 11:33:09 GMT 2023 , Edited by admin on Sat Dec 16 11:33:09 GMT 2023
PRIMARY
WIKIPEDIA
(+)-Benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide
Created by admin on Sat Dec 16 11:33:09 GMT 2023 , Edited by admin on Sat Dec 16 11:33:09 GMT 2023
PRIMARY
CAS
58917-91-2
Created by admin on Sat Dec 16 11:33:09 GMT 2023 , Edited by admin on Sat Dec 16 11:33:09 GMT 2023
PRIMARY
PUBCHEM
44460
Created by admin on Sat Dec 16 11:33:09 GMT 2023 , Edited by admin on Sat Dec 16 11:33:09 GMT 2023
PRIMARY