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

Systemtic Name: disodium (3Z)-3-[(4-acetamido-2-methyl-phenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-3-[(4-acetamido-2-methyl-phenyl)hydrazono]-5-hydroxy-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-3-[(4-acetamido-2-methylphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-3-[(4-acetamido-2-methylphenyl)hydrazinylidene]-5-hydroxy-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-3-[(4-acetamido-2-methyl-phenyl)hydrazono]-5-hydroxy-4-keto-naphthalene-2,7-disulfonate Formula: C19H15N3Na2O9S2 MolecularWeight: 539.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O9S2.2Na/c1-9-5-12(20-10(2)23)3-4-14(9)21-22-18-16(33(29,30)31)7-11-6-13(32(26,27)28)8-15(24)17(11)19(18)25;;/h3-8,21,24H,1-2H3,(H,20,23)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/b22-18+;;