(4E)-4-[[5-methyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[5-methyl-3-oxidanylidene-2-(4-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-3-keto-4-[[5-keto-3-methyl-1-(4-sulfophenyl)-3-pyrazolin-4-yl]hydrazono]naphthalene-1-sulfonic acid Formula: C20H16N4O8S2 MolecularWeight: 504.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O8S2/c1-11-18(20(26)24(23-11)12-6-8-13(9-7-12)33(27,28)29)21-22-19-15-5-3-2-4-14(15)17(10-16(19)25)34(30,31)32/h2-10,21,23H,1H3,(H,27,28,29)(H,30,31,32)/b22-19+