sodium 2-[[(3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]sulfonylamino]benzoate

Systemtic Name: sodium 2-[[(3E)-3-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]sulfonylamino]benzoate Openeye Name: sodium 2-[[(3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]sulfonylamino]benzoate CAS Name: sodium 2-[[(3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]sulfonylamino]benzoate IUPAC Name: sodium 2-[[(3E)-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]sulfonylamino]benzoate Traditional Name: sodium 2-[[(3E)-4-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)hydrazono]cyclohexa-1,5-dien-1-yl]sulfonylamino]benzoate Formula: C23H18N5NaO6S MolecularWeight: 515.47369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)S(=O)(=O)NC3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C=CC2=O)S(=O)(=O)NC3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H19N5O6S.Na/c1-14-21(22(30)28(26-14)15-7-3-2-4-8-15)25-24-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32;/h2-13,21,25,27H,1H3,(H,31,32);/q;+1/p-1/b24-19+;