3-chloranyl-5-[[5-methyl-3-oxidanylidene-2-(3-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-chloranyl-5-[[5-methyl-3-oxidanylidene-2-(3-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-chloro-5-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-chloro-5-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-chloro-5-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-chloro-6-keto-5-[[5-keto-3-methyl-1-(3-sulfophenyl)-3-pyrazolin-4-yl]hydrazono]cyclohexa-1,3-diene-1-sulfonic acid Formula: C16H13ClN4O8S2 MolecularWeight: 488.87942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)NN=C3C=C(C=C(C3=O)S(=O)(=O)O)Cl

InChI

InChI=1S/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,19-20H,1H3,(H,24,25,26)(H,27,28,29)