disodium (6E)-4-acetamido-6-[[4-[2-(3-methyl-4-oxidanyl-naphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfenatoperoxy-naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-acetamido-6-[[4-[2-(3-methyl-4-oxidanyl-naphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfenatoperoxy-naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-acetamido-6-[[4-[2-[(4-hydroxy-3-methyl-1-naphthyl)oxy]ethoxy]phenyl]hydrazono]-5-oxo-7-sulfenatoperoxy-naphthalene-2-sulfonate CAS Name: disodium (6E)-4-acetamido-6-[[4-[2-[(4-hydroxy-3-methyl-1-naphthalenyl)oxy]ethoxy]phenyl]hydrazinylidene]-5-oxo-7-sulfenatodioxy-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-acetamido-6-[[4-[2-(4-hydroxy-3-methylnaphthalen-1-yl)oxyethoxy]phenyl]hydrazinylidene]-5-oxo-7-sulfenatoperoxynaphthalene-2-sulfonate Traditional Name: disodium (6E)-4-acetamido-6-[[4-[2-(4-hydroxy-3-methyl-1-naphthoxy)ethoxy]phenyl]hydrazono]-5-keto-7-sulfenatoperoxy-naphthalene-2-sulfonate Formula: C31H25N3Na2O11S2 MolecularWeight: 725.65324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)OCCOC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])OOS[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)OCCOC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C)S(=O)(=O)[O-])OOS[O-])O.[Na+].[Na+]

InChI

InChI=1S/C31H27N3O11S2.2Na/c1-17-13-26(23-5-3-4-6-24(23)30(17)36)43-12-11-42-21-9-7-20(8-10-21)33-34-29-27(44-45-46-38)15-19-14-22(47(39,40)41)16-25(32-18(2)35)28(19)31(29)37;;/h3-10,13-16,33,36,38H,11-12H2,1-2H3,(H,32,35)(H,39,40,41);;/q;2*+1/p-2/b34-29+;;