copper; (3-methyl-2-oxidanyl-5-sulfo-phenyl)-[(Z)-[[[2-(oxidanylidenemethyl)-5-(trioxidanylsulfanyl)phenyl]diazenyl]-phenyl-methylidene]amino]azanide

Systemtic Name: copper; (3-methyl-2-oxidanyl-5-sulfo-phenyl)-[(Z)-[[[2-(oxidanylidenemethyl)-5-(trioxidanylsulfanyl)phenyl]diazenyl]-phenyl-methylidene]amino]azanide Openeye Name: copper; (2-hydroxy-3-methyl-5-sulfo-phenyl)-[(Z)-[[2-(oxomethyl)-5-(trioxidanylsulfanyl)phenyl]azo-phenyl-methylene]amino]azanide CAS Name: copper; (2-hydroxy-3-methyl-5-sulfophenyl)-[(Z)-[[2-(oxomethyl)-5-(trioxidanylthio)phenyl]azo-phenylmethylidene]amino]azanide IUPAC Name: copper; (2-hydroxy-3-methyl-5-sulfophenyl)-[(Z)-[[[2-(oxomethyl)-5-(trioxidanylsulfanyl)phenyl]diazenyl]-phenylmethylidene]amino]azanide Traditional Name: copper; (2-hydroxy-3-methyl-5-sulfo-phenyl)-[(Z)-[[2-(ketomethyl)-5-(trioxidanylthio)phenyl]azo-phenyl-methylene]amino]azanide Formula: C21H16CuN4O8S2-2 MolecularWeight: 580.04974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)[N-]N=C(C2=CC=CC=C2)N=NC3=C(C=CC(=C3)SOOO)[C-]=O)S(=O)(=O)O.[Cu]

Isomeric SMILES

CC1=CC(=CC(=C1O)[N-]/N=C(/C2=CC=CC=C2)\N=NC3=C(C=CC(=C3)SOOO)[C-]=O)S(=O)(=O)O.[Cu]

InChI

InChI=1S/C21H16N4O8S2.Cu/c1-13-9-17(35(29,30)31)11-19(20(13)27)23-25-21(14-5-3-2-4-6-14)24-22-18-10-16(34-33-32-28)8-7-15(18)12-26;/h2-11H,1H3,(H3-,22,23,24,25,26,27,28,29,30,31);/q-2;