Tris(N,N-diethylethanaminium) 4-[(4E)-3-methyl-4-{(2Z,4E)-5-[3-methyl-5-oxido-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]-3-phenyl-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate
[CAS# 254451-42-8]

Identification

• Name: Tris(N,N-diethylethanaminium) 4-[(4E)-3-methyl-4-{(2Z,4E)-5-[3-methyl-5-oxido-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]-3-phenyl-2,4-pentadien-1-ylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonate
• Synonyms: Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-3-phenyl-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:3) (9CI); Neurodye RH-155; ; RH-155; tri(N,N-diethyl-1-ethanaminium) 4-(3-methyl-4-{(E,2Z,4E)-5-[3-methyl-5-oxido-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]-3-phenyl-2,4-pentadienylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonate
• Molecular Formula: C₄₉H₇₁N₇O₈S₂
• Molecular Weight: 950.26
• CAS Registry Number: 254451-42-8
• SMILES: [O-]S(=O)(=O)c1ccc(cc1)n2nc(c(c2[O-])\C=C\C(\c3ccccc3)=C\C=C5/C(=N\N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C)C.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC
• InChI: 1S/C31H26N4O8S2.3C6H15N/c1-20-28(30(36)34(32-20)24-10-14-26(15-11-24)44(38,39)40)18-8-23(22-6-4-3-5-7-22)9-19-29-21(2)33-35(31(29)37)25-12-16-27(17-13-25)45(41,42)43;3*1-4-7(5-2)6-3/h3-19,36H,1-2H3,(H,38,39,40)(H,41,42,43);3*4-6H2,1-3H3/b18-8+,23-9-,29-19+
• InChIKey: PUJWEJBPPDVHSV-SHEWQKBSSA-N

Properties

• Refractive index: (Cal.)