[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O6S/c1-30-21-15-16(12-13-20(21)31-32(28,29)18-10-6-3-7-11-18)14-19-22(26)24-25(23(19)27)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,26)