(3E)-3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[[2-methoxy-4-(4-sulfophenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-3-[[2-methoxy-4-(4-sulfophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-3-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-4-keto-3-[[2-methoxy-4-(4-sulfophenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C23H18N4O8S2 MolecularWeight: 542.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)NN=C3C(=CC4=CC=CC=C4C3=O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)N/N=C\3/C(=CC4=CC=CC=C4C3=O)S(=O)(=O)O

InChI

InChI=1S/C23H18N4O8S2/c1-35-20-13-16(25-24-15-6-9-17(10-7-15)36(29,30)31)8-11-19(20)26-27-22-21(37(32,33)34)12-14-4-2-3-5-18(14)23(22)28/h2-13,26H,1H3,(H,29,30,31)(H,32,33,34)/b25-24?,27-22-