N,N-Diethylethanaminium 3-[(2Z)-2-{(2E)-2-[2-(Diphenylamino)-3-{(E)-2-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Vinyl}-2-Cyclopenten-1-Ylidene]Ethylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propane Sulfonate
[CAS# 185840-01-1]

Identification

• Name: N,N-Diethylethanaminium 3-[(2Z)-2-{(2E)-2-[2-(Diphenylamino)-3-{(E)-2-[3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Vinyl}-2-Cyclopenten-1-Ylidene]Ethylidene}-1,3-Benzothiazol-3(2H)-Yl]-1-Propane Sulfonate
• Synonyms: Benzothiazolium, 2-[2-[2-(diphenylamino)-3-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) (9CI); N,N-diethyl-1-ethanaminium 3-{2-[(Z)-2-(2-(diphenylamino)-3-{(E)-2-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]ethenyl}-2-cyclopenten-1-ylidene)ethylidene]-1,3-benzothiazol-3-yl}-1-propanesulfo
• Molecular Formula: C₄₇H₅₄N₄O₆S₄
• Molecular Weight: 899.21
• CAS Registry Number: 185840-01-1
• SMILES: CC[NH+](CC)CC.c1ccc(cc1)N(c2ccccc2)C3=C(CCC3=CC=C4N(c5ccccc5S4)CCCS(=O)(=O)[O-])C=Cc6[n+](c7ccccc7s6)CCCS(=O)(=O)[O-]
• InChI: 1S/C41H39N3O6S4.C6H15N/c45-53(46,47)29-11-27-42-35-17-7-9-19-37(35)51-39(42)25-23-31-21-22-32(41(31)44(33-13-3-1-4-14-33)34-15-5-2-6-16-34)24-26-40-43(28-12-30-54(48,49)50)36-18-8-10-20-38(36)52-40;1-4-7(5-2)6-3/h1-10,13-20,23-26H,11-12,21-22,27-30H2,(H-,45,46,47,48,49,50);4-6H2,1-3H3
• InChIKey: ULUFWRHMPPDTAE-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)