3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid

CAS Registry Number®

6838-01-3

CAS Name

3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid

Molecular Formula

C14H12N2O7S2

Molecular Mass

384.38

Cite this Page

3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6838-01-3 (retrieved 2024-11-28) (CAS RN: 6838-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=ZDBIDERWCKMIAU-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C=1C2=C(C(S(=O)(=O)O)=CC(=C2)N3N=C(C)CC3=O)C=CC1

Canonical SMILES

O=C1N(N=C(C)C1)C=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O

Other Names for this Substance

  • 1,5-Naphthalenedisulfonic acid, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • 1,5-Naphthalenedisulfonic acid, 3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • 3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,5-naphthalenedisulfonic acid

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