4-[4-[(3-Ethyl-3H-Benzoxazol-2-Ylidene)Ethylidene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 27583-41-1]

Identification

• Name: 4-[4-[(3-Ethyl-3H-Benzoxazol-2-Ylidene)Ethylidene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 4-[(4E)-4-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[(4E)-4-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzenesulfonic Acid; 4-[(4E)-4-[(2Z)-2-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)Ethylidene]-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₁H₁₉N₃O₅S
• Molecular Weight: 425.46
• CAS Registry Number: 27583-41-1
• EINECS: 248-547-6
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C)\C(C2=O)=C/C=C3\OC4=C(N3CC)C=CC=C4
• InChI: 1S/C21H19N3O5S/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)/b17-12+,20-13-
• InChIKey: ZHDYUNFDUDYQNL-CKDUKDRZSA-N

Properties

• Density: 1.407g/cm³ (Cal.)