(3E)-5-azanyl-3-[(6,8-dimethyl-1-oxidanyl-4-sulfo-naphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid; copper

Systemtic Name: (3E)-5-azanyl-3-[(6,8-dimethyl-1-oxidanyl-4-sulfo-naphthalen-2-yl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid; copper Openeye Name: (3E)-5-amino-3-[(1-hydroxy-6,8-dimethyl-4-sulfo-2-naphthyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid; copper CAS Name: (3E)-5-amino-3-[(1-hydroxy-6,8-dimethyl-4-sulfo-2-naphthalenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; copper IUPAC Name: (3E)-5-amino-3-[(1-hydroxy-6,8-dimethyl-4-sulfonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; copper Traditional Name: (3E)-5-amino-3-[(1-hydroxy-6,8-dimethyl-4-sulfo-2-naphthyl)hydrazono]-4-keto-naphthalene-2,7-disulfonic acid; copper Formula: C22H19CuN3O11S3 MolecularWeight: 661.14076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=C2O)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Cu]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=C2O)N/N=C\3/C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Cu]

InChI

InChI=1S/C22H19N3O11S3.Cu/c1-9-3-10(2)18-13(4-9)16(38(31,32)33)8-15(21(18)26)24-25-20-17(39(34,35)36)6-11-5-12(37(28,29)30)7-14(23)19(11)22(20)27;/h3-8,24,26H,23H2,1-2H3,(H,28,29,30)(H,31,32,33)(H,34,35,36);/b25-20-;