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

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

CAS
94944-74-8
Catalog Number
ACM94944748
Category
Other Products
Molecular Weight
622.817840 [g/mol]
Molecular Formula
C34H46N4O5S

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Specification

Synonyms
EINECS 305-652-2, CID3024409, 94944-74-8, m-(4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-(4-((1-oxohexadecyl)amino)phenyl)-1H-pyrazol-1-yl)benzenesulphonic acid
IUPAC Name
3-[4-(2-cyanoethyl)-3-[4-(hexadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2CCC#N)C3=CC(=CC=C3)S(=O)(=O)O
InChI Key
ADSVMOOPQPIGEI-UHFFFAOYSA-N
Density
1.19g/cm³
EC Number
305-652-2
Exact Mass
622.31900
H-Bond Acceptor
7
H-Bond Donor
2
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