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Structure

2-[[1-(2-Octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid

CAS
2566-86-1
Catalog Number
ACM2566861
Category
Other Products
Molecular Weight
643.9 g/mol
Molecular Formula
C34H49N3O5S2

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Specification

Synonyms
EINECS 219-899-8, CID75726, 2566-86-1, o-(((4,5-Dihydro-1-(2-(octadecylthio)phenyl)-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)benzenesulphonic acid
IUPAC Name
2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1N2C(=O)CC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)O
InChI Key
XRURHQQYUBFGFD-UHFFFAOYSA-N
Density
1.19g/cm³
EC Number
219-899-8
Exact Mass
643.31100
H-Bond Acceptor
6
H-Bond Donor
2
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