(3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: (3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: (3E)-5-acetamido-3-[(2,4-dimethylphenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C20H19N3O8S2 MolecularWeight: 493.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C20H19N3O8S2/c1-10-4-5-15(11(2)6-10)22-23-19-17(33(29,30)31)8-13-7-14(32(26,27)28)9-16(21-12(3)24)18(13)20(19)25/h4-9,22H,1-3H3,(H,21,24)(H,26,27,28)(H,29,30,31)/b23-19-