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

Systemtic Name: (4E)-4-[[2-(2-chloranyl-5-sulfo-phenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[2-(2-chloro-5-sulfo-phenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[2-(2-chloro-5-sulfophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[2-(2-chloro-5-sulfophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[1-(2-chloro-5-sulfo-phenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C20H15ClN4O8S2 MolecularWeight: 538.9381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O8S2/c1-10-18(20(27)25(24-10)15-8-11(34(28,29)30)6-7-14(15)21)22-23-19-13-5-3-2-4-12(13)17(9-16(19)26)35(31,32)33/h2-9,22,24H,1H3,(H,28,29,30)(H,31,32,33)/b23-19+