4-[(4Z)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate

Systemtic Name: 4-[(4Z)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzenesulfonate Openeye Name: 4-[(4Z)-4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzenesulfonate CAS Name: 4-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzenesulfonate IUPAC Name: 4-[(4Z)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonate Traditional Name: 4-[(4Z)-4-(4-benzoxy-3-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]besylate Formula: C25H21N2O6S- MolecularWeight: 477.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6S/c1-17-22(25(28)27(26-17)20-9-11-21(12-10-20)34(29,30)31)14-19-8-13-23(24(15-19)32-2)33-16-18-6-4-3-5-7-18/h3-15,26H,1,16H2,2H3,(H,29,30,31)/p-1/b22-14-