disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]hydrazinylidene]-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]hydrazinylidene]-6-oxidanidylperoxysulfanyl-8-oxidanylidene-naphthalene-1-sulfonate Openeye Name: disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]hydrazono]-6-oxidoperoxysulfanyl-8-oxo-naphthalene-1-sulfonate CAS Name: disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylphenyl]hydrazinylidene]-6-(oxidodioxythio)-8-oxo-1-naphthalenesulfonate IUPAC Name: disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylphenyl]hydrazinylidene]-6-oxidoperoxysulfanyl-8-oxonaphthalene-1-sulfonate Traditional Name: disodium (7Z)-7-[[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]hydrazono]-8-keto-6-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C26H19N3Na2O7S3 MolecularWeight: 627.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)C3=CC(=C(C=C3)NN=C4C(=CC5=C(C4=O)C(=CC=C5)S(=O)(=O)[O-])SOO[O-])C)C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)C3=CC(=C(C=C3)N/N=C/4\C(=CC5=C(C4=O)C(=CC=C5)S(=O)(=O)[O-])SOO[O-])C)C.[Na+].[Na+]

InChI

InChI=1S/C26H21N3O7S3.2Na/c1-13-9-15(3)23-19(10-13)37-26(27-23)17-7-8-18(14(2)11-17)28-29-24-20(38-36-35-31)12-16-5-4-6-21(39(32,33)34)22(16)25(24)30;;/h4-12,28,31H,1-3H3,(H,32,33,34);;/q;2*+1/p-2/b29-24+;;