Hydrogen 5-chloro-2-(3-(5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)-2-ethylprop-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)
[CAS# 39201-42-8]

Identification

• Name: Hydrogen 5-chloro-2-(3-(5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene)-2-ethylprop-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)
• Synonyms: 3-[(2Z)-5-Chloro-2-[(2E)-2-[[5-Chloro-3-(3-Sulfopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]Methylene]Butylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; N,N-Diethylethanamine; 3-[(2Z)-5-Chloro-2-[(E)-3-[5-Chloro-3-(3-Sulfopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]-2-Ethyl-Prop-2-Enylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; Triethylamine; Benzoxazolium, 5-Chloro-2-(2-((5-Chloro-3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene)Methyl)-1-Butenyl)-3-(3-Sulfopropyl)-, Hydroxide, Inner Salt, Compd. With N,N-Diethylethanamine (1:1)
• Molecular Formula: C₃₁H₄₁Cl₂N₃O₈S₂
• Molecular Weight: 718.71
• CAS Registry Number: 39201-42-8
• EINECS: 254-349-0
• SMILES: C1=C(Cl)C=CC4=C1N(C(=CC(=CC2=[N+](C3=C(O2)C=CC(=C3)Cl)CCC[S](=O)(=O)[O-])CC)O4)CCC[S](O)(=O)=O.C(N(CC)CC)C
• InChI: 1S/C25H26Cl2N2O8S2.C6H15N/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25;1-4-7(5-2)6-3/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3
• InChIKey: ULHAYPWCIHCPHI-UHFFFAOYSA-N