disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-acetamido-3-[(3,4-dimethylphenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C20H17N3Na2O8S2 MolecularWeight: 537.47382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=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.[Na+].[Na+]

InChI

InChI=1S/C20H19N3O8S2.2Na/c1-10-4-5-14(6-11(10)2)22-23-19-17(33(29,30)31)8-13-7-15(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);;/q;2*+1/p-2/b23-19+;;