3-[(2Z)-2-[[(3Z)-3-[(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Methylene]-1-Cyclohexenyl]Methylene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
[CAS# 160649-43-4]

Identification

• Name: 3-[(2Z)-2-[[(3Z)-3-[(3-Ethyl-1,3-Benzothiazol-3-Ium-2-Yl)Methylene]-1-Cyclohexenyl]Methylene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate
• Synonyms: 3-{2-[(3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium-3-yl}-1-propanesulfonate; Benzothiazolium, 2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfopropyl)-, inner salt (9CI)
• Molecular Formula: C₂₇H₂₈N₂O₃S₃
• Molecular Weight: 524.72
• CAS Registry Number: 160649-43-4
• SMILES: [O-]S(=O)(=O)CCCN4c5ccccc5S\C4=C/C=1CCC\C(\C=1)=C\c3sc2ccccc2[n+]3CC
• InChI: 1S/C27H28N2O3S3/c1-2-28-22-11-3-5-13-24(22)33-26(28)18-20-9-7-10-21(17-20)19-27-29(15-8-16-35(30,31)32)23-12-4-6-14-25(23)34-27/h3-6,11-14,17-19H,2,7-10,15-16H2,1H3
• InChIKey: SKQCTIOOMRITHI-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)