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Details

Stereochemistry ACHIRAL
Molecular Formula C30H32N2O2
Molecular Weight 452.5873
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,5-TRIPHENYL-1H-PYRAZOLE-1-NONANOIC ACID

SMILES

OC(=O)CCCCCCCCN1N=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=UQKNBUMTTCHIOJ-UHFFFAOYSA-N
InChI=1S/C30H32N2O2/c33-27(34)22-14-3-1-2-4-15-23-32-30(26-20-12-7-13-21-26)28(24-16-8-5-9-17-24)29(31-32)25-18-10-6-11-19-25/h5-13,16-21H,1-4,14-15,22-23H2,(H,33,34)

HIDE SMILES / InChI

Molecular Formula C30H32N2O2
Molecular Weight 452.5873
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 Fri Dec 15 19:12:16 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:16 GMT 2023
Record UNII
91L70Q8BIT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4,5-TRIPHENYL-1H-PYRAZOLE-1-NONANOIC ACID
Systematic Name English
1H-PYRAZOLE-1-NONANOIC ACID, 3,4,5-TRIPHENYL-
Common Name English
BMY 42239
Code English
BMY-42239
Common Name English
3,4,5-TPNA
Common Name English
Code System Code Type Description
MESH
C072408
Created by admin on Fri Dec 15 19:12:16 GMT 2023 , Edited by admin on Fri Dec 15 19:12:16 GMT 2023
PRIMARY
CAS
134701-70-5
Created by admin on Fri Dec 15 19:12:16 GMT 2023 , Edited by admin on Fri Dec 15 19:12:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID30158886
Created by admin on Fri Dec 15 19:12:16 GMT 2023 , Edited by admin on Fri Dec 15 19:12:16 GMT 2023
PRIMARY
PUBCHEM
131814
Created by admin on Fri Dec 15 19:12:16 GMT 2023 , Edited by admin on Fri Dec 15 19:12:16 GMT 2023
PRIMARY
FDA UNII
91L70Q8BIT
Created by admin on Fri Dec 15 19:12:16 GMT 2023 , Edited by admin on Fri Dec 15 19:12:16 GMT 2023
PRIMARY