(4E)-4-[[2-(3,4-dimethylphenyl)-5-ethoxy-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[2-(3,4-dimethylphenyl)-5-ethoxy-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[2-(3,4-dimethylphenyl)-5-ethoxy-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[2-(3,4-dimethylphenyl)-5-ethoxy-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[2-(3,4-dimethylphenyl)-5-ethoxy-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[1-(3,4-dimethylphenyl)-3-ethoxy-5-keto-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C23H22N4O6S MolecularWeight: 482.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N(N1)C2=CC(=C(C=C2)C)C)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(C(=O)N(N1)C2=CC(=C(C=C2)C)C)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C23H22N4O6S/c1-4-33-22-21(23(29)27(26-22)15-10-9-13(2)14(3)11-15)25-24-20-17-8-6-5-7-16(17)19(12-18(20)28)34(30,31)32/h5-12,25-26H,4H2,1-3H3,(H,30,31,32)/b24-20+