Ethanol, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-(hydrogen sulfate), sodium salt (1:1)
CAS Registry Number®
94138-71-3
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CAS Name
Ethanol, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-(hydrogen sulfate), sodium salt (1:1)Molecular Formula
C17H17ClN2O6S2.NaCite this Page
Ethanol, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-(hydrogen sulfate), sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94138-71-3 (retrieved ) (CAS RN: 94138-71-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H17ClN2O6S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)27(21,22)12-11-26-28(23,24)25;/h1-8H,9-12H2,(H,23,24,25);
InChIKey
InChIKey=PUCVVEQZNWLAGT-UHFFFAOYSA-N
SMILES
S(CCOS(=O)(=O)O)(=O)(=O)C1=CC=C(N2N=C(CC2)C3=CC=C(Cl)C=C3)C=C1.[Na]
Canonical SMILES
[Na].O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
Other Names for this Substance
- Ethanol, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-(hydrogen sulfate), sodium salt (1:1)
- Ethanol, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, hydrogen sulfate (ester), sodium salt
