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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H14O3
Molecular Weight 314.3341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9,10-PHENANTHRENEDIOL, MONOBENZOATE

SMILES

OC1=C(OC(=O)C2=CC=CC=C2)C3=C(C=CC=C3)C4=C1C=CC=C4

InChI

InChIKey=FXVNMUNYTZMPQM-UHFFFAOYSA-N
InChI=1S/C21H14O3/c22-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(19)24-21(23)14-8-2-1-3-9-14/h1-13,22H

HIDE SMILES / InChI

Molecular Formula C21H14O3
Molecular Weight 314.3341
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 12:45:43 UTC 2023
Edited
by admin
on Sat Dec 16 12:45:43 UTC 2023
Record UNII
X1IEL6Z5UJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9,10-PHENANTHRENEDIOL, MONOBENZOATE
Systematic Name English
9,10-PHENANTHRENEDIOL, 9-BENZOATE
Systematic Name English
NSC-407911
Code English
Code System Code Type Description
FDA UNII
X1IEL6Z5UJ
Created by admin on Sat Dec 16 12:45:43 UTC 2023 , Edited by admin on Sat Dec 16 12:45:43 UTC 2023
PRIMARY
CAS
39559-48-3
Created by admin on Sat Dec 16 12:45:43 UTC 2023 , Edited by admin on Sat Dec 16 12:45:43 UTC 2023
PRIMARY
NSC
407911
Created by admin on Sat Dec 16 12:45:43 UTC 2023 , Edited by admin on Sat Dec 16 12:45:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID20192673
Created by admin on Sat Dec 16 12:45:43 UTC 2023 , Edited by admin on Sat Dec 16 12:45:43 UTC 2023
PRIMARY
PUBCHEM
348540
Created by admin on Sat Dec 16 12:45:43 UTC 2023 , Edited by admin on Sat Dec 16 12:45:43 UTC 2023
PRIMARY