potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfonatosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfonatosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfonatosulfanylethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-[2-(sulfonatothio)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfonatosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: potassium sodium (3E)-6-acetamido-3-[[2,5-dimethoxy-4-[2-(sulfonatothio)ethylsulfonyl]phenyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C22H21KN3NaO12S4 MolecularWeight: 709.76311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC(=C(C=C3OC)S(=O)(=O)CCSS(=O)(=O)[O-])OC)C2=O)S(=O)(=O)[O-].[Na+].[K+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N/NC3=CC(=C(C=C3OC)S(=O)(=O)CCSS(=O)(=O)[O-])OC)/C2=O)S(=O)(=O)[O-].[Na+].[K+]

InChI

InChI=1S/C22H23N3O12S4.K.Na/c1-12(26)23-14-5-4-13-8-20(40(30,31)32)21(22(27)15(13)9-14)25-24-16-10-18(37-3)19(11-17(16)36-2)39(28,29)7-6-38-41(33,34)35;;/h4-5,8-11,24H,6-7H2,1-3H3,(H,23,26)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/b25-21-;;