2-[2-[(3-Ethyl-5-Methoxybenzothiazol-2(3H)-Ylidene)Methyl]But-1-Enyl]-5-Methoxy-3-(3-Sulphonatopropyl)Benzothiazolium inner salt
[CAS# 14637-08-2]

Identification

• Name: 2-[2-[(3-Ethyl-5-Methoxybenzothiazol-2(3H)-Ylidene)Methyl]But-1-Enyl]-5-Methoxy-3-(3-Sulphonatopropyl)Benzothiazolium inner salt
• Synonyms: 3-[2-[(E)-2-[(Z)-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-5-Methoxy-1,3-Benzothiazol-3-Ium-3-Yl]Propane-1-Sulfonate; Benzothiazolium, 2-(2-((3-Ethyl-5-Methoxy-2(3H)-Benzothiazolylidene)Methyl)-1-Butenyl)-5-Methoxy-3-(3-Sulfopropyl)-, Hydroxide, Inner Salt; Benzothiazolium, 2-(2-((3-Ethyl-5-Methoxy-2(3H)-Benzothiazolylidene)Methyl)-1-Butenyl)-5-Methoxy-3-(3-Sulfopropyl)-, Inner Salt
• Molecular Formula: C₂₆H₃₀N₂O₅S₃
• Molecular Weight: 546.71
• CAS Registry Number: 14637-08-2
• EINECS: 238-681-3
• SMILES: C2=C1[N+](=C(SC1=CC=C2OC)C=C(C=C3N(C4=C(S3)C=CC(=C4)OC)CCC[S]([O-])(=O)=O)CC)CC
• InChI: 1S/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3
• InChIKey: BPVXRCNZOAFWOB-UHFFFAOYSA-N