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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=C1C(=C3C=CC4=C5C(C=CC2=C35)=CC=C4)[N+]([O-])=O

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 Mon Mar 31 22:08:09 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:09 GMT 2025
Record UNII
7WZS08R2WR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)PYREN-7-OL, 7,8,9,10-TETRAHYDRO-6-NITRO-
Preferred Name English
6-NITRO-7-HYDROXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90913539
Created by admin on Mon Mar 31 22:08:09 GMT 2025 , Edited by admin on Mon Mar 31 22:08:09 GMT 2025
PRIMARY
FDA UNII
7WZS08R2WR
Created by admin on Mon Mar 31 22:08:09 GMT 2025 , Edited by admin on Mon Mar 31 22:08:09 GMT 2025
PRIMARY
PUBCHEM
152161
Created by admin on Mon Mar 31 22:08:09 GMT 2025 , Edited by admin on Mon Mar 31 22:08:09 GMT 2025
PRIMARY
CAS
97931-40-3
Created by admin on Mon Mar 31 22:08:09 GMT 2025 , Edited by admin on Mon Mar 31 22:08:09 GMT 2025
PRIMARY