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

Systemtic Name: disodium (3E)-5-acetamido-3-[(2-methylphenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-5-acetamido-3-(o-tolylhydrazono)-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-5-acetamido-3-[(2-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-5-acetamido-3-[(2-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-5-acetamido-4-keto-3-(o-tolylhydrazono)naphthalene-2,7-disulfonate Formula: C19H15N3Na2O8S2 MolecularWeight: 523.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1N/N=C\2/C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H17N3O8S2.2Na/c1-10-5-3-4-6-14(10)21-22-18-16(32(28,29)30)8-12-7-13(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24;;/h3-9,21H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b22-18-;;