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  • m-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid
Structure

m-[4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulfonic acid

CAS
94944-75-9
Catalog Number
ACM94944759
Category
Other Products
Molecular Weight
650.871000 [g/mol]
Molecular Formula
C36H50N4O5S

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Specification

Synonyms
EINECS 305-653-8, CID3024410, 94944-75-9, m-(4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-(4-((1-oxooctadecyl)amino)phenyl)-1H-pyrazol-1-yl)benzenesulphonic acid
IUPAC Name
3-[4-(2-cyanoethyl)-3-[4-(octadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2CCC#N)C3=CC(=CC=C3)S(=O)(=O)O
InChI Key
JLUMGSZBJQCCCD-UHFFFAOYSA-N
Density
1.17g/cm³
EC Number
305-653-8
Exact Mass
650.35000
H-Bond Acceptor
7
H-Bond Donor
2
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