disodium (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-azanyl-7-oxidanidylperoxysulfanyl-4-oxidanylidene-6-[(4-prop-2-enylphenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-azanyl-7-oxidanidylperoxysulfanyl-4-oxidanylidene-6-[(4-prop-2-enylphenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: disodium (3Z)-3-[(4-acetamidophenyl)hydrazono]-6-(4-allylphenyl)azo-5-amino-7-oxidoperoxysulfanyl-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-amino-7-(oxidodioxythio)-4-oxo-6-(4-prop-2-enylphenyl)azo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-3-[(4-acetamidophenyl)hydrazinylidene]-5-amino-7-oxidoperoxysulfanyl-4-oxo-6-[(4-prop-2-enylphenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: disodium (3Z)-3-[(4-acetamidophenyl)hydrazono]-6-(4-allylphenyl)azo-5-amino-4-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C27H22N6Na2O8S2 MolecularWeight: 668.60852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NN=C2C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)CC=C)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C(=C3C2=O)N)N=NC4=CC=C(C=C4)CC=C)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H24N6O8S2.2Na/c1-3-4-16-5-7-19(8-6-16)30-32-25-21(42-41-40-36)13-17-14-22(43(37,38)39)26(27(35)23(17)24(25)28)33-31-20-11-9-18(10-12-20)29-15(2)34;;/h3,5-14,31,36H,1,4,28H2,2H3,(H,29,34)(H,37,38,39);;/q;2*+1/p-2/b32-30?,33-26+;;