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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12N2O7S2
Molecular Weight 384.384
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid

SMILES

CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=FDUGPNDWCQRTAP-UHFFFAOYSA-N
InChI=1S/C14H12N2O7S2/c1-8-4-14(17)16(15-8)10-2-3-12-9(5-10)6-11(24(18,19)20)7-13(12)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,18,19,20)(H,21,22,23)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid
Systematic Name English
1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Systematic Name English
1,3-Naphthalenedisulfonic acid, 6-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1064611
Created by admin on Sat Dec 16 20:08:21 GMT 2023 , Edited by admin on Sat Dec 16 20:08:21 GMT 2023
PRIMARY
FDA UNII
NRX9YC72JM
Created by admin on Sat Dec 16 20:08:21 GMT 2023 , Edited by admin on Sat Dec 16 20:08:21 GMT 2023
PRIMARY
CAS
7277-87-4
Created by admin on Sat Dec 16 20:08:21 GMT 2023 , Edited by admin on Sat Dec 16 20:08:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
230-692-1
Created by admin on Sat Dec 16 20:08:21 GMT 2023 , Edited by admin on Sat Dec 16 20:08:21 GMT 2023
PRIMARY
PUBCHEM
81694
Created by admin on Sat Dec 16 20:08:21 GMT 2023 , Edited by admin on Sat Dec 16 20:08:21 GMT 2023
PRIMARY
NIH
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