sodium 5-chloranyl-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 5-chloranyl-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 5-chloro-2-[3-methyl-5-oxo-4-[[4-(p-tolylsulfonyloxy)phenyl]hydrazono]pyrazol-1-yl]benzenesulfonate CAS Name: sodium 5-chloro-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: sodium 5-chloro-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: sodium 5-chloro-2-[5-keto-3-methyl-4-[(4-tosyloxyphenyl)hydrazono]-2-pyrazolin-1-yl]besylate Formula: C23H18ClN4NaO7S2 MolecularWeight: 584.98439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NN=C3C(=NN(C3=O)C4=C(C=C(C=C4)Cl)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NN=C3C(=NN(C3=O)C4=C(C=C(C=C4)Cl)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H19ClN4O7S2.Na/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32;/h3-13,25H,1-2H3,(H,30,31,32);/q;+1/p-1