4-[(2E)-2-[3-methanoyloxy-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[3-methanoyloxy-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[3-formyloxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[3-formyloxy-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[3-formyloxy-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[3-formyloxy-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylic acid Formula: C16H12N4O9S2 MolecularWeight: 468.41788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC=O)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O9S2/c21-9-29-15-14(18-17-10-1-5-12(6-2-10)30(23,24)25)16(22)20(19-15)11-3-7-13(8-4-11)31(26,27)28/h1-9,17H,(H,23,24,25)(H,26,27,28)/b18-14+