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Home > Product > Heterocyclic Organic Compounds > 3-[5-Methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate

3-[5-Methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate | CAS Number: 23368-55-0

Catalog Number
ACM23368550
Product Name
3-[5-Methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Structure
CAS Number
23368-55-0
EC Number
245-615-7
IUPAC Name
3-[5-methyl-2-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Synonyms
EINECS 245-615-7, CID90912, 3,3-Disulfopropyl-5,5-dimethyl-9-ethylthiacarbocyanine, 23368-55-0, 42942-97-2, 88216-25-5, Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, Hydrogen 5-methyl-2-(2-((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium
Molecular Weight
608.813 g/mol
Exact Mass
608.11400
Molecular Formula
C27H32N2O6S4
Purity
96%
SMILES
CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C=CC(=C4)C)CCCS(=O)(=O)[O-]
InChIKey
OCKFAYCPGGIZTF-UHFFFAOYSA-N
H-Bond Donor
1
H-Bond Acceptor
7
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