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

Systemtic Name: (4E)-4-[[5-methyl-3-oxidanylidene-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[2-(4-benzyloxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-methyl-3-oxo-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-methyl-3-oxo-2-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[1-(4-benzoxyphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C27H22N4O6S MolecularWeight: 530.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)NN=C4C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)N/N=C/4\C5=CC=CC=C5C(=CC4=O)S(=O)(=O)O

InChI

InChI=1S/C27H22N4O6S/c1-17-25(28-29-26-22-10-6-5-9-21(22)24(15-23(26)32)38(34,35)36)27(33)31(30-17)19-11-13-20(14-12-19)37-16-18-7-3-2-4-8-18/h2-15,28,30H,16H2,1H3,(H,34,35,36)/b29-26+