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

14637-08-2

Catalog Number

ACM14637082

Category

Other Products

Molecular Weight

546.722 g/mol

Molecular Formula

C₂₆H₃₀N₂O₅S₃

MSDS COA Spec Sheet

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Specification

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

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

Canonical 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

InChI Key

BPVXRCNZOAFWOB-UHFFFAOYSA-N

EC Number

238-681-3

Exact Mass

546.13200

H-Bond Acceptor

H-Bond Donor