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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 3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonic acid

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C14H12N2O7S2
Molecular Weight 384.384
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 11:56:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:56:52 GMT 2023
Record UNII
4FRN2CNP5S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-Methyl-5-oxo-2H-pyrazol-1(5H)-yl)naphthalene-1,5-disulfonic acid
Systematic Name English
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1,5-disulfonic acid
Systematic Name English
3-(5-Hydroxy-3-methyl-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid
Systematic Name English
1,5-NAPHTHALENEDISULFONIC ACID, 3-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-
Common Name English
1,5-Naphthalenedisulfonic acid, 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-
Systematic Name English
1,5-Naphthalenedisulfonic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
Systematic Name English
3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid
Systematic Name English
Code System Code Type Description
CAS
107143-03-3
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
ALTERNATIVE
FDA UNII
4FRN2CNP5S
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
PRIMARY
CAS
6838-01-3
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID8064486
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
PRIMARY
PUBCHEM
81282
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-926-5
Created by admin on Sat Dec 16 11:56:52 GMT 2023 , Edited by admin on Sat Dec 16 11:56:52 GMT 2023
PRIMARY