N,N-Diethylethanaminium 3-[(2Z)-2-{3-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]-2-Cyclopenten-1-Ylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
[CAS# 351524-09-9]

Identification

• Name: N,N-Diethylethanaminium 3-[(2Z)-2-{3-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]-2-Cyclopenten-1-Ylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propanesulfonate
• Synonyms: Benzothiazolium, 3-(3-sulfopropyl)-2-[3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-cyclopenten-1-yl]-, inner salt, compd. with N,N-diethylethanamine (1:1) (9CI); N,N-diethyl-1-ethanaminium 3-(2-{3-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]-2-cyclopenten-1-ylidene}-1,3-benzothiazol-3-yl)-1-propanesulfonate
• Molecular Formula: C₃₁H₄₁N₃O₆S₄
• Molecular Weight: 679.93
• CAS Registry Number: 351524-09-9
• SMILES: CC[NH+](CC)CC.c1ccc2c(c1)[n+](c(s2)C3=CC(=C4N(c5ccccc5S4)CCCS(=O)(=O)[O-])CC3)CCCS(=O)(=O)[O-]
• InChI: 1S/C25H26N2O6S4.C6H15N/c28-36(29,30)15-5-13-26-20-7-1-3-9-22(20)34-24(26)18-11-12-19(17-18)25-27(14-6-16-37(31,32)33)21-8-2-4-10-23(21)35-25;1-4-7(5-2)6-3/h1-4,7-10,17H,5-6,11-16H2,(H-,28,29,30,31,32,33);4-6H2,1-3H3
• InChIKey: MNRJHMDIYQXHFR-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)