N,N-Diethylethanaminium 3-[(2Z)-2-{[(3E)-5,5-dimethyl-3-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylene}-1-cyclohexen-1-yl]methylene}naphtho[1,2-d][1,3]thiazol-1(2H)-yl]-1-propanesulfonate
[CAS# 156054-66-9]

Identification

• Name: N,N-Diethylethanaminium 3-[(2Z)-2-{[(3E)-5,5-dimethyl-3-{[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylene}-1-cyclohexen-1-yl]methylene}naphtho[1,2-d][1,3]thiazol-1(2H)-yl]-1-propanesulfonate
• Synonyms: N,N-diethyl-1-ethanaminium 3-{2-[(Z)-(5,5-dimethyl-3-{(E)-[1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium-2-yl]methylidene}-1-cyclohexen-1-yl)methylidene]naphtho[1,2-d][1,3]thiazol-1-yl}-1-propanesulfonate; Naphtho[1,2-d]thiazolium, 2-[[5,5-dimethyl-3-[[1-(3-sulfopropyl)naphtho[1,2-d]thiazol-2(1H)-ylidene]methyl]-2-cyclohexen-1-ylidene]methyl]-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) (9CI)
• Molecular Formula: C₄₄H₅₃N₃O₆S₄
• Molecular Weight: 848.17
• CAS Registry Number: 156054-66-9
• SMILES: CC[NH+](CC)CC.CC1(CC(=CC(=Cc2[n+](c3c4ccccc4ccc3s2)CCCS(=O)(=O)[O-])C1)C=C5N(c6c7ccccc7ccc6S5)CCCS(=O)(=O)[O-])C
• InChI: 1S/C38H38N2O6S4.C6H15N/c1-38(2)24-26(22-34-39(17-7-19-49(41,42)43)36-30-11-5-3-9-28(30)13-15-32(36)47-34)21-27(25-38)23-35-40(18-8-20-50(44,45)46)37-31-12-6-4-10-29(31)14-16-33(37)48-35;1-4-7(5-2)6-3/h3-6,9-16,21-23H,7-8,17-20,24-25H2,1-2H3,(H-,41,42,43,44,45,46);4-6H2,1-3H3
• InChIKey: BCJGSHAPYSCZAI-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)