copper; (3E)-7-methyl-3-[(3-methyl-2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: copper; (3E)-7-methyl-3-[(3-methyl-2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: copper; (3E)-3-[(2-hydroxy-3-methyl-5-sulfo-phenyl)hydrazono]-7-methyl-4-oxo-naphthalene-2-sulfonic acid CAS Name: copper; (3E)-3-[(2-hydroxy-3-methyl-5-sulfophenyl)hydrazinylidene]-7-methyl-4-oxo-2-naphthalenesulfonic acid IUPAC Name: copper; (3E)-3-[(2-hydroxy-3-methyl-5-sulfophenyl)hydrazinylidene]-7-methyl-4-oxonaphthalene-2-sulfonic acid Traditional Name: copper; (3E)-3-[(2-hydroxy-3-methyl-5-sulfo-phenyl)hydrazono]-4-keto-7-methyl-naphthalene-2-sulfonic acid Formula: C18H16CuN2O8S2 MolecularWeight: 516.00424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C(=CC(=C3)S(=O)(=O)O)C)O)C(=C2)S(=O)(=O)O.[Cu]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)/C(=N\NC3=C(C(=CC(=C3)S(=O)(=O)O)C)O)/C(=C2)S(=O)(=O)O.[Cu]

InChI

InChI=1S/C18H16N2O8S2.Cu/c1-9-3-4-13-11(5-9)7-15(30(26,27)28)16(18(13)22)20-19-14-8-12(29(23,24)25)6-10(2)17(14)21;/h3-8,19,21H,1-2H3,(H,23,24,25)(H,26,27,28);/b20-16-;