U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C20H15NO3
Molecular Weight 317.338
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-NITRO-7-HYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE

SMILES

OC1CCCC2=C3C=CC4=C5C(C=CC(=C35)C(=C12)[N+]([O-])=O)=CC=C4

InChI

InChIKey=FBNQVDBEPCPMLA-UHFFFAOYSA-N
InChI=1S/C20H15NO3/c22-16-6-2-5-13-14-9-7-11-3-1-4-12-8-10-15(18(14)17(11)12)20(19(13)16)21(23)24/h1,3-4,7-10,16,22H,2,5-6H2

HIDE SMILES / InChI

Molecular Formula C20H15NO3
Molecular Weight 317.338
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:31:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:02 GMT 2023
Record UNII
7WZS08R2WR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-NITRO-7-HYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
Systematic Name English
BENZO(A)PYREN-7-OL, 7,8,9,10-TETRAHYDRO-6-NITRO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90913539
Created by admin on Sat Dec 16 08:31:02 GMT 2023 , Edited by admin on Sat Dec 16 08:31:02 GMT 2023
PRIMARY
FDA UNII
7WZS08R2WR
Created by admin on Sat Dec 16 08:31:02 GMT 2023 , Edited by admin on Sat Dec 16 08:31:02 GMT 2023
PRIMARY
PUBCHEM
152161
Created by admin on Sat Dec 16 08:31:02 GMT 2023 , Edited by admin on Sat Dec 16 08:31:02 GMT 2023
PRIMARY
CAS
97931-40-3
Created by admin on Sat Dec 16 08:31:02 GMT 2023 , Edited by admin on Sat Dec 16 08:31:02 GMT 2023
PRIMARY