4-[(4E)-4-[[5-(3-ethanoylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-4-[[5-(3-ethanoylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-4-[[5-(3-acetylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-4-[[5-(3-acetylphenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-4-[[5-(3-acetylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-4-[[5-(3-acetylphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)C)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)C)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C23H18N2O6S/c1-14-21(23(27)25(24-14)18-6-9-20(10-7-18)32(28,29)30)13-19-8-11-22(31-19)17-5-3-4-16(12-17)15(2)26/h3-13H,1-2H3,(H,28,29,30)/b21-13+