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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO3
Molecular Weight 263.2476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-NITRO-4-PYRENOL

SMILES

OC1=CC2=C(C=CC3=CC=C4C=CC=C1C4=C23)[N+]([O-])=O

InChI

InChIKey=CIIOACBBIMHZQA-UHFFFAOYSA-N
InChI=1S/C16H9NO3/c18-14-8-12-13(17(19)20)7-6-10-5-4-9-2-1-3-11(14)15(9)16(10)12/h1-8,18H

HIDE SMILES / InChI

Molecular Formula C16H9NO3
Molecular Weight 263.2476
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
S82YWJ9Y5R
Record Status Validated (UNII)
Record Version