2-[3-[3-[1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-4H-Pyrazol-4-Ylidene]-5,5-Dimethylcyclohex-1-En-1-Yl]Prop-2-Enylidene]-2H-Benzoxazole-3-Propylsulphonic Acid
[CAS# 63059-65-4]

Identification

• Name: 2-[3-[3-[1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-4H-Pyrazol-4-Ylidene]-5,5-Dimethylcyclohex-1-En-1-Yl]Prop-2-Enylidene]-2H-Benzoxazole-3-Propylsulphonic Acid
• Synonyms: 4-[(4E)-4-[5,5-Dimethyl-3-[3-[3-(3-Sulfopropyl)-1,3-Benzoxazol-2-Ylidene]Prop-1-Enyl]-1-Cyclohex-2-Enylidene]-3-Methyl-5-Oxo-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[(4E)-4-[5,5-Dimethyl-3-[3-[3-(3-Sulfopropyl)-1,3-Benzoxazol-2-Ylidene]Prop-1-Enyl]-1-Cyclohex-2-Enylidene]-3-Methyl-5-Oxo-1-Pyrazolyl]Benzenesulfonic Acid; 4-[(4E)-4-[5,5-Dimethyl-3-[3-[3-(3-Sulfopropyl)-1,3-Benzoxazol-2-Ylidene]Prop-1-Enyl]-1-Cyclohex-2-Enylidene]-5-Keto-3-Methyl-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₃₁H₃₃N₃O₈S₂
• Molecular Weight: 639.74
• CAS Registry Number: 63059-65-4
• EINECS: 263-832-5
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C)\C(C2=O)=C\3C=C(CC(C3)(C)C)\C=C\C=C4/OC5=C(N4CCC[S](=O)(=O)O)C=CC=C5
• InChI: 1S/C31H33N3O8S2/c1-21-29(30(35)34(32-21)24-12-14-25(15-13-24)44(39,40)41)23-18-22(19-31(2,3)20-23)8-6-11-28-33(16-7-17-43(36,37)38)26-9-4-5-10-27(26)42-28/h4-6,8-15,18H,7,16-17,19-20H2,1-3H3,(H,36,37,38)(H,39,40,41)/b8-6+,28-11-,29-23-
• InChIKey: JEBBXXFVVHQLAN-QGOMBULCSA-N

Properties

• Density: 1.403g/cm³ (Cal.)