4-[4-[4-(3-Ethyl-Benzoxazol-2(3H)-Ylidene)Buten-2-Ylidene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 29637-29-4]

Identification

• Name: 4-[4-[4-(3-Ethyl-Benzoxazol-2(3H)-Ylidene)Buten-2-Ylidene]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 4-[(4Z)-4-[(E,4E)-4-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)But-2-Enylidene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[(4Z)-4-[(E,4E)-4-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)But-2-Enylidene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzenesulfonic Acid; 4-[(4Z)-4-[(E,4E)-4-(3-Ethyl-1,3-Benzoxazol-2-Ylidene)But-2-Enylidene]-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₃H₂₁N₃O₅S
• Molecular Weight: 451.50
• CAS Registry Number: 29637-29-4
• EINECS: 249-746-0
• SMILES: C4=C(N1N=C(C(/C1=O)=C/C=C/C=C3/OC2=CC=CC=C2N3CC)C)C=CC(=C4)[S](=O)(=O)O
• InChI: 1S/C23H21N3O5S/c1-3-25-20-9-5-6-10-21(20)31-22(25)11-7-4-8-19-16(2)24-26(23(19)27)17-12-14-18(15-13-17)32(28,29)30/h4-15H,3H2,1-2H3,(H,28,29,30)/b7-4+,19-8-,22-11+
• InChIKey: ORAPKIMSYPKJRA-SBVKBHTESA-N

Properties

• Density: 1.35g/cm³ (Cal.)