disodium (3Z)-3-[(2-methoxy-5-methyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,6-disulfonate

Systemtic Name: disodium (3Z)-3-[(2-methoxy-5-methyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,6-disulfonate Openeye Name: disodium (3Z)-3-[(2-methoxy-5-methyl-phenyl)hydrazono]-4-oxo-naphthalene-2,6-disulfonate CAS Name: disodium (3Z)-3-[(2-methoxy-5-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,6-disulfonate IUPAC Name: disodium (3Z)-3-[(2-methoxy-5-methylphenyl)hydrazinylidene]-4-oxonaphthalene-2,6-disulfonate Traditional Name: disodium (3Z)-4-keto-3-[(2-methoxy-5-methyl-phenyl)hydrazono]naphthalene-2,6-disulfonate Formula: C18H14N2Na2O8S2 MolecularWeight: 496.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NN=C2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N/N=C/2\C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H16N2O8S2.2Na/c1-10-3-6-15(28-2)14(7-10)19-20-17-16(30(25,26)27)8-11-4-5-12(29(22,23)24)9-13(11)18(17)21;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;