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Details

Stereochemistry RACEMIC
Molecular Formula C20H12O
Molecular Weight 268.3087
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZO(A)PYRENE 11,12-OXIDE

SMILES

O1[C@H]2[C@@H]1C3=C4C(C=CC5=CC=CC2=C45)=CC6=CC=CC=C36

InChI

InChIKey=ISBWKKKMLFVMHH-UXHICEINSA-N
InChI=1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H12O
Molecular Weight 268.3087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:34:56 GMT 2023
Edited
by admin
on Sat Dec 16 11:34:56 GMT 2023
Record UNII
SP4673T914
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYRENE 11,12-OXIDE
Common Name English
BENZO(10,11)CHRYSENO(5,6-B)OXIRENE, 1A,11C-DIHYDRO-, (±)-
Systematic Name English
BENZO(A)PYRENE-11,12-EPOXIDE
Common Name English
BENZO(A)PYRENE 11,12-OXIDE, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121488464
Created by admin on Sat Dec 16 11:34:56 GMT 2023 , Edited by admin on Sat Dec 16 11:34:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID60975846
Created by admin on Sat Dec 16 11:34:56 GMT 2023 , Edited by admin on Sat Dec 16 11:34:56 GMT 2023
PRIMARY
CAS
60448-19-3
Created by admin on Sat Dec 16 11:34:56 GMT 2023 , Edited by admin on Sat Dec 16 11:34:56 GMT 2023
PRIMARY
FDA UNII
SP4673T914
Created by admin on Sat Dec 16 11:34:56 GMT 2023 , Edited by admin on Sat Dec 16 11:34:56 GMT 2023
PRIMARY