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Hydroxylamine-O-sulfonic acid, N-(7-chloro-1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-4(1H)-quinolinylidene)-, potassium salt

HCID 23698151
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Basic information

CAS
114427-40-6
Standard SMILES
CC(C)(C)C(=O)N1CC/C(=N/OS(=O)(=O)[O-])c2ccc(Cl)cc21.[K+]
InChIKey
CTHXVRFWCPJQOD-MWVRIADDSA-M
Molecular formula
C14H16ClKN2O5S
Average molar mass
398.9 g/mol
Monoisotopic mass
398.010552

Names & identifiers

Preferred name
Hydroxylamine-O-sulfonic acid, N-(7-chloro-1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-4(1H)-quinolinylidene)-, potassium salt
IUPAC
potassium [(Z)-[7-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-ylidene]amino] sulfate

Names & synonyms

114427-40-6Hydroxylamine-O-sulfonic acid, N-(7-chloro-1-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-4(1H)-quinolinylidene)-, potassium saltRefChem:1087079

Database identifiers

CAS
114427-40-6
PubChem CID
23698151

Properties

Computed structural properties

Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
599

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