[2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O5S/c1-17-21(24(27)26(25-17)19-9-5-3-6-10-19)15-18-13-14-22(23(16-18)30-2)31-32(28,29)20-11-7-4-8-12-20/h3-16H,1-2H3/b21-15+