Benzothiazolium,2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-3-(3-sulfopropyl)-,inner salt

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Catalog Number
ACM94232709
Product Name
Benzothiazolium,2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-3-(3-sulfopropyl)-,inner salt
Structure
Structure
CAS
94232-70-9
Category
Heterocyclic Organic Compound
Synonyms
EINECS 303-998-9, 2-(2-((3-(2-Carboxyethyl)-5-chloro-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-chloro-3-(3-sulphonatopropyl)benzothiazolium, 94232-70-9
IUPAC Name
3-[2-[(Z)-2-[(E)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Molecular Weight
599.56946
Molecular Formula
C25H24Cl2N2O5S3
Canonical SMILES
CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)Cl)CCC(=O)O
InChI Key
UPMBCOCBOLASHO-UHFFFAOYSA-N
Density
g/cm³
EC Number
303-998-9
Exact Mass
598.02200
H-Bond Acceptor
6
H-Bond Donor
1
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