(3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfosulfanylethylsulfonyl)phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-6-acetamido-3-[[2,5-dimethoxy-4-[2-(sulfothio)ethylsulfonyl]phenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-acetamido-3-[[2,5-dimethoxy-4-(2-sulfosulfanylethylsulfonyl)phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-6-acetamido-3-[[2,5-dimethoxy-4-[2-(sulfothio)ethylsulfonyl]phenyl]hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C22H23N3O12S4 MolecularWeight: 649.69092

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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

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

InChI

InChI=1S/C22H23N3O12S4/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)/b25-21-