(3E)-3-[(5-chloranyl-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (3E)-3-[(5-chloranyl-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (3E)-3-[(5-chloro-2-hydroxy-3-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-1-sulfonic acid CAS Name: (3E)-3-[(5-chloro-2-hydroxy-3-sulfophenyl)hydrazinylidene]-4-oxo-1-naphthalenesulfonic acid IUPAC Name: (3E)-3-[(5-chloro-2-hydroxy-3-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-1-sulfonic acid Traditional Name: (3E)-3-[(5-chloro-2-hydroxy-3-sulfo-phenyl)hydrazono]-4-keto-naphthalene-1-sulfonic acid Formula: C16H11ClN2O8S2 MolecularWeight: 458.85014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)Cl)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=CC(=CC(=C3O)S(=O)(=O)O)Cl)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C16H11ClN2O8S2/c17-8-5-11(16(21)14(6-8)29(25,26)27)18-19-12-7-13(28(22,23)24)9-3-1-2-4-10(9)15(12)20/h1-7,18,21H,(H,22,23,24)(H,25,26,27)/b19-12+