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Home > Product > Heterocyclic Organic Compounds > 3-[2-[2-[(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

3-[2-[2-[(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate | CAS Number: 14637-08-2

Catalog Number
ACM14637082
Product Name
3-[2-[2-[(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Structure
CAS Number
14637-08-2
EC Number
238-681-3
IUPAC Name
3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Synonyms
CID84569, EINECS 238-681-3, BAS 00482520, 14637-08-2, 2-(2-((3-Ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium, 61735-08-8, Anhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxide, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner salt, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
Molecular Weight
546.722 g/mol
Exact Mass
546.13200
Molecular Formula
C26H30N2O5S3
Purity
96%
SMILES
CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)OC)CC
InChIKey
BPVXRCNZOAFWOB-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
6
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