4-{4-[1-(6-Methoxy-3-Methyl-1,3-Benzothiazol-3-Ium-2-Yl)-3-(6-Methoxy-3-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Propen-2-Yl]-5-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-1-Yl}-1-Butanesulfonate
[CAS# 2321-65-5]

Identification

• Name: 4-{4-[1-(6-Methoxy-3-Methyl-1,3-Benzothiazol-3-Ium-2-Yl)-3-(6-Methoxy-3-Methyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Propen-2-Yl]-5-Methyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-1-Yl}-1-Butanesulfonate
• Synonyms: 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium
• Molecular Formula: C₃₅H₃₆N₄O₆S₃
• Molecular Weight: 704.88
• CAS Registry Number: 2321-65-5
• EINECS: 219-032-3
• SMILES: [O-]S(=O)(=O)CCCCN2\C(=C(/C(=O)N2c1ccccc1)C(=Cc3sc4cc(OC)ccc4[n+]3C)C=C6Sc5cc(OC)ccc5N6C)C
• InChI: 1S/C35H36N4O6S3/c1-23-34(35(40)39(25-11-7-6-8-12-25)38(23)17-9-10-18-48(41,42)43)24(19-32-36(2)28-15-13-26(44-4)21-30(28)46-32)20-33-37(3)29-16-14-27(45-5)22-31(29)47-33/h6-8,11-16,19-22H,9-10,17-18H2,1-5H3
• InChIKey: WVXXUIKUBNLFPA-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)