4-[2-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-(5-oxidanylidene-1,3-diphenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-(5-oxo-1,3-diphenyl-pyrazol-4-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[2-(5-oxo-1,3-diphenyl-4-pyrazolylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[2-(5-oxo-1,3-diphenylpyrazol-4-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-(5-keto-1,3-diphenyl-2-pyrazolin-4-ylidene)hydrazino]besylic acid Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O4S/c26-21-20(23-22-16-11-13-18(14-12-16)30(27,28)29)19(15-7-3-1-4-8-15)24-25(21)17-9-5-2-6-10-17/h1-14,22H,(H,27,28,29)