trisodium (6Z)-3-benzamido-6-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: trisodium (6Z)-3-benzamido-6-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: trisodium (6Z)-3-benzamido-6-[(4-methyl-2-sulfonato-phenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: trisodium (6Z)-3-benzamido-6-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: trisodium (6Z)-3-benzamido-6-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: trisodium (6Z)-3-benzamido-5-keto-6-[(4-methyl-2-sulfonato-phenyl)hydrazono]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C24H16N3Na3O11S3 MolecularWeight: 687.56165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=C(C=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H19N3O11S3.3Na/c1-13-7-8-17(20(9-13)40(31,32)33)26-27-22-19(39-38-37-30)10-15-11-21(41(34,35)36)18(12-16(15)23(22)28)25-24(29)14-5-3-2-4-6-14;;;/h2-12,26,30H,1H3,(H,25,29)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3/b27-22+;;;