CAS
769159-85-5 Purity
96%
769159-85-5 Purity
96%
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2-[3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethyl-3-(3-sulfonatopropyl)benzothiazolium
CAS
7691-71-6
Catalog Number
ACM7691716
Category
Other Products
Molecular Weight
500.696420 [g/mol]
Molecular Formula
C25H28N2O3S3
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Specification
Synonyms
EINECS 231-702-7, CID5485652, 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium, 7691-71-6
IUPAC Name
3-[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
Canonical SMILES
CC[N+]1=C(SC2=CC=CC=C21)C=C(C)C=C3N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-]
InChI Key
BCISOBKQMRFGRW-UHFFFAOYSA-N
EC Number
231-702-7
H-Bond Acceptor
4
H-Bond Donor
0
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