2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulfonatopropyl)benzothiazolium

Catalog Number

ACM65776616

Product Name

2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulfonatopropyl)benzothiazolium

Structure

CAS

65776-61-6

Category

Heterocyclic Organic Compound

Synonyms

Ambcb5107911, MolPort-002-130-769, EINECS 265-918-8, ZINC01881884, ZINC04737245, CID1626616, 2-(2-Ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium, Anhydro-2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)benzothiazolium hydroxide, Benzothiazolium, 2-(2-ethoxy-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, Benzothiazolium, 2-(2-ethoxy-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, 65776-61-6

IUPAC Name

3-[2-[(Z)-2-ethoxybut-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Molecular Weight

385.498220 [g/mol]

Molecular Formula

C₁₇H₂₃NO₅S₂

Canonical SMILES

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])OCC

InChI Key

OCOQIXABQGDZEQ-SEYXRHQNSA-N

EC Number

265-918-8

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet