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

Systemtic Name: disodium (3Z)-5-benzamido-3-[(2,5-dimethylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[(2,5-dimethylphenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[(2,5-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[(2,5-dimethylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-3-[(2,5-dimethylphenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C25H19N3Na2O8S2 MolecularWeight: 599.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H21N3O8S2.2Na/c1-14-8-9-15(2)19(10-14)27-28-23-21(38(34,35)36)12-17-11-18(37(31,32)33)13-20(22(17)24(23)29)26-25(30)16-6-4-3-5-7-16;;/h3-13,27H,1-2H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2/b28-23+;;