disodium (3Z)-7-azanyl-3-[[4-[(2-methylphenyl)diazenyl]-7-oxidanidylperoxysulfanyl-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-7-azanyl-3-[[4-[(2-methylphenyl)diazenyl]-7-oxidanidylperoxysulfanyl-naphthalen-1-yl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-amino-3-[[4-(o-tolylazo)-7-oxidoperoxysulfanyl-1-naphthyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-amino-3-[[4-(2-methylphenyl)azo-7-(oxidodioxythio)-1-naphthalenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-amino-3-[[4-[(2-methylphenyl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-amino-4-keto-3-[[4-(o-tolylazo)-7-(oxidoperoxythio)-1-naphthyl]hydrazono]naphthalene-2-sulfonate Formula: C27H19N5Na2O7S2 MolecularWeight: 635.5786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)NN=C4C(=CC5=C(C4=O)C=CC(=C5)N)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1N=NC2=C3C=CC(=CC3=C(C=C2)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5)N)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C27H21N5O7S2.2Na/c1-15-4-2-3-5-22(15)29-30-23-10-11-24(21-14-18(40-39-38-34)7-9-20(21)23)31-32-26-25(41(35,36)37)13-16-12-17(28)6-8-19(16)27(26)33;;/h2-14,31,34H,28H2,1H3,(H,35,36,37);;/q;2*+1/p-2/b30-29?,32-26+;;