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Details

Stereochemistry ACHIRAL
Molecular Formula C20H11NO3
Molecular Weight 313.3062
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-NITRO BENZO(E)PYREN-3-OL

SMILES

OC1=CC=C2C3=CC=CC=C3C4=C(C=CC5=CC=C1C2=C45)[N+]([O-])=O

InChI

InChIKey=RFVBTMAHKTUIBO-UHFFFAOYSA-N
InChI=1S/C20H11NO3/c22-17-10-8-14-12-3-1-2-4-13(12)20-16(21(23)24)9-6-11-5-7-15(17)19(14)18(11)20/h1-10,22H

HIDE SMILES / InChI

Molecular Formula C20H11NO3
Molecular Weight 313.3062
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:23 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:23 GMT 2023
Record UNII
W5618489DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-NITRO BENZO(E)PYREN-3-OL
Systematic Name English
BENZO(E)PYREN-3-OL, 8-NITRO-
Systematic Name English
6-HYDROXY-1-NITROBENZO(E)PYRENE
Systematic Name English
Code System Code Type Description
PUBCHEM
146565
Created by admin on Sat Dec 16 08:09:23 GMT 2023 , Edited by admin on Sat Dec 16 08:09:23 GMT 2023
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FDA UNII
W5618489DE
Created by admin on Sat Dec 16 08:09:23 GMT 2023 , Edited by admin on Sat Dec 16 08:09:23 GMT 2023
PRIMARY
CAS
115664-50-1
Created by admin on Sat Dec 16 08:09:23 GMT 2023 , Edited by admin on Sat Dec 16 08:09:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID50151157
Created by admin on Sat Dec 16 08:09:23 GMT 2023 , Edited by admin on Sat Dec 16 08:09:23 GMT 2023
PRIMARY