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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClN2O2S.Na
Molecular Weight 342.776
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM P-(3-(P-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULPHINATE

SMILES

[Na+].[O-]S(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(Cl)C=C3

InChI

InChIKey=ZFCKILMXBFBMCM-UHFFFAOYSA-M
InChI=1S/C15H13ClN2O2S.Na/c16-12-3-1-11(2-4-12)15-9-10-18(17-15)13-5-7-14(8-6-13)21(19)20;/h1-8H,9-10H2,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H12ClN2O2S
Molecular Weight 319.786
Charge -1
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 12:29:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:18 GMT 2023
Record UNII
GU8NB7DM4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM P-(3-(P-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULPHINATE
Common Name English
Benzenesulfinic acid, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-, sodium salt (1:1)
Common Name English
Benzenesulfinic acid, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-, sodium salt
Common Name English
Code System Code Type Description
CAS
43037-46-3
Created by admin on Sat Dec 16 12:29:18 GMT 2023 , Edited by admin on Sat Dec 16 12:29:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
256-053-7
Created by admin on Sat Dec 16 12:29:18 GMT 2023 , Edited by admin on Sat Dec 16 12:29:18 GMT 2023
PRIMARY
FDA UNII
GU8NB7DM4Q
Created by admin on Sat Dec 16 12:29:18 GMT 2023 , Edited by admin on Sat Dec 16 12:29:18 GMT 2023
PRIMARY
PUBCHEM
23684580
Created by admin on Sat Dec 16 12:29:18 GMT 2023 , Edited by admin on Sat Dec 16 12:29:18 GMT 2023
PRIMARY