sodium 4-[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: sodium 4-[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: sodium 4-[(4Z)-4-[(4-methoxyphenyl)hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: sodium 4-[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: sodium 4-[(4Z)-4-[(4-methoxyphenyl)hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: sodium 4-[(4Z)-5-keto-4-[(4-methoxyphenyl)hydrazono]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H16N4NaO5S+ MolecularWeight: 411.38751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)OC)C3=CC=C(C=C3)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H16N4O5S.Na/c1-11-16(19-18-12-3-7-14(26-2)8-4-12)17(22)21(20-11)13-5-9-15(10-6-13)27(23,24)25;/h3-10,18H,1-2H3,(H,23,24,25);/q;+1/b19-16-;