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Details

Stereochemistry ABSOLUTE
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, ANTI-(+)-

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-WCIQWLHISA-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+/m1/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
RZT81YA9NW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, ANTI-(+)-
Common Name English
(+)-ANTI-BPDE
Common Name English
(+)-ANTI-TRANS-BENZO(A)PYRENE-7,8-DIOL 9,10-EPOXIDE
Common Name English
(+)-ANTI-BENZO(A)PYRENE-7,8-DIHYDRODIOL-9,10-EPOXIDE
Common Name English
BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R,8S,8AS,9AR)-
Systematic Name English
ANTI-BPDE, (+)-
Common Name English
(+)-BPDE 2
Common Name English
ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (+)-TRANS-
Common Name English
BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R-(7.ALPHA.,8.BETA.,8A.ALPHA.,9A.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
RZT81YA9NW
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
63323-31-9
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
EPA CompTox
DTXSID0040967
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
44461
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
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