copper (3E)-5-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: copper (3E)-5-acetamido-4-oxidanylidene-3-[[2-oxidanyl-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: copper (3E)-5-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: copper (3E)-5-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: copper (3E)-5-acetamido-3-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: cupric (3E)-5-acetamido-3-[[2-hydroxy-4-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C20H19CuN3O15S4+2 MolecularWeight: 733.18196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)O)C2=O)S(=O)(=O)O.[Cu+2]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=C(C=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)O)/C2=O)S(=O)(=O)O.[Cu+2]

InChI

InChI=1S/C20H19N3O15S4.Cu/c1-10(24)21-15-8-13(40(29,30)31)6-11-7-17(41(32,33)34)19(20(26)18(11)15)23-22-14-3-2-12(9-16(14)25)39(27,28)5-4-38-42(35,36)37;/h2-3,6-9,22,25H,4-5H2,1H3,(H,21,24)(H,29,30,31)(H,32,33,34)(H,35,36,37);/q;+2/b23-19-;