3-[(2Z)-2-({(3E)-5,5-Dimethyl-3-[(3-Pentyl-1,3-Benzothiazol-3-Ium-2-Yl)Methylene]-1-Cyclohexen-1-Yl}Methylene)-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 122341-51-9]

Identification

• Name: 3-[(2Z)-2-({(3E)-5,5-Dimethyl-3-[(3-Pentyl-1,3-Benzothiazol-3-Ium-2-Yl)Methylene]-1-Cyclohexen-1-Yl}Methylene)-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
• Synonyms: 3-[2-((Z)-{5,5-dimethyl-3-[(E)-(3-pentyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1-cyclohexen-1-yl}methylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate; Benzothiazolium, 2-[[5,5-dimethyl-3-[(3-pentyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]methyl]-3-(3-sulfopropyl)-, inner salt (9CI)
• Molecular Formula: C₃₂H₃₈N₂O₃S₃
• Molecular Weight: 594.85
• CAS Registry Number: 122341-51-9
• SMILES: CCCCC[n+]1c2ccccc2sc1C=C3CC(CC(=C3)C=C4N(c5ccccc5S4)CCCS(=O)(=O)[O-])(C)C
• InChI: 1S/C32H38N2O3S3/c1-4-5-10-16-33-26-12-6-8-14-28(26)38-30(33)20-24-19-25(23-32(2,3)22-24)21-31-34(17-11-18-40(35,36)37)27-13-7-9-15-29(27)39-31/h6-9,12-15,19-21H,4-5,10-11,16-18,22-23H2,1-3H3
• InChIKey: YKVVDMYNFDOTFS-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)