disodium (6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazinylidene]-4-(methylsulfonylamino)-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazinylidene]-4-(methylsulfonylamino)-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazono]-4-(methanesulfonamido)-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6Z)-6-[(2-butoxy-4-octylphenyl)hydrazinylidene]-4-(methanesulfonamido)-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6Z)-6-[(2-butoxy-4-octylphenyl)hydrazinylidene]-4-(methanesulfonamido)-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazono]-5-keto-4-(methanesulfonamido)-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C29H37N3Na2O10S3 MolecularWeight: 729.79272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NS(=O)(=O)C)S(=O)(=O)[O-])SOO[O-])OCCCC.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NS(=O)(=O)C)S(=O)(=O)[O-])SOO[O-])OCCCC.[Na+].[Na+]

InChI

InChI=1S/C29H39N3O10S3.2Na/c1-4-6-8-9-10-11-12-20-13-14-23(25(16-20)40-15-7-5-2)30-31-28-26(43-42-41-34)18-21-17-22(45(37,38)39)19-24(27(21)29(28)33)32-44(3,35)36;;/h13-14,16-19,30,32,34H,4-12,15H2,1-3H3,(H,37,38,39);;/q;2*+1/p-2/b31-28+;;