(4E)-4-[[2-(4-tert-butylphenyl)-5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-ethoxycarbonyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-ethoxycarbonyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[2-(4-tert-butylphenyl)-5-ethoxycarbonyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[1-(4-tert-butylphenyl)-3-carbethoxy-5-keto-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C26H26N4O7S MolecularWeight: 538.57224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C(C)(C)C)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)C(C)(C)C)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C26H26N4O7S/c1-5-37-25(33)23-22(24(32)30(29-23)16-12-10-15(11-13-16)26(2,3)4)28-27-21-18-9-7-6-8-17(18)20(14-19(21)31)38(34,35)36/h6-14,28-29H,5H2,1-4H3,(H,34,35,36)/b27-21+