[3-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate

Systemtic Name: [3-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [3-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [3-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4S/c1-17-22(23(26)25(24-17)19-10-4-2-5-11-19)16-18-9-8-12-20(15-18)29-30(27,28)21-13-6-3-7-14-21/h2-16H,1H3/b22-16-