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

Systemtic Name: 4-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'Z)-N'-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]besylic acid Formula: C16H14N4O7S2 MolecularWeight: 438.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H14N4O7S2/c1-10-15(18-17-11-2-6-13(7-3-11)28(22,23)24)16(21)20(19-10)12-4-8-14(9-5-12)29(25,26)27/h2-9,17H,1H3,(H,22,23,24)(H,25,26,27)/b18-15-