2-[3-[3-(2-Hydroxyethyl)-2(3H)-Benzothiazolylidene]-2-Methyl-1-Propen-1-Yl]-3-[3-(Sulfooxy)Butyl]-Benzothiazolium Inner Salt
[CAS# 103534-62-9]

Identification

• Name: 2-[3-[3-(2-Hydroxyethyl)-2(3H)-Benzothiazolylidene]-2-Methyl-1-Propen-1-Yl]-3-[3-(Sulfooxy)Butyl]-Benzothiazolium Inner Salt
• Synonyms: 3-(2-Hydroxyethyl)-9-Methyl-3'-(3-Sulfoxybutyl)Thiacarbocyaninehydroxide; 3-(2-HYDROXYETHYL)-9-METHYL-3'-(3-SULFATOBUTYL)THIACARBOCYANINE BETAINE
• Molecular Formula: C₂₄H₂₆N₂O₅S₃
• Molecular Weight: 518.67
• CAS Registry Number: 103534-62-9
• SMILES: OCC[n+]1c(/C=C(/C=c\2/sc3c(n2CCC(OS(=O)(=O)[O-])C)cccc3)\C)sc2c1cccc2
• InChI: 1S/C24H26N2O5S3/c1-17(16-24-26(13-14-27)20-8-4-6-10-22(20)33-24)15-23-25(12-11-18(2)31-34(28,29)30)19-7-3-5-9-21(19)32-23/h3-10,15-16,18,27H,11-14H2,1-2H3