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Structure

2-[[5-(Methoxycarbonyl)-3-(4-sulfonatobutyl)-3H-benzothiazol-2-ylidene]methyl]-1-methylquinolinium

CAS
84434-35-5
Catalog Number
ACM84434355
Category
Other Products
Molecular Weight
484.587760 [g/mol]
Molecular Formula
C24H24N2O5S2

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Specification

Synonyms
EINECS 282-833-1, 2-((5-(Methoxycarbonyl)-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium, 84434-35-5
IUPAC Name
4-[(2Z)-5-methoxycarbonyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate
Canonical SMILES
C[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=C(S3)C=CC(=C4)C(=O)OC)CCCCS(=O)(=O)[O-]
InChI Key
OGVGWGGXMWGPSC-UHFFFAOYSA-N
EC Number
282-833-1
Exact Mass
484.11300
H-Bond Acceptor
6
H-Bond Donor
0
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