disodium (5E)-5-[(2-methoxy-3-methyl-4-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (5E)-5-[(2-methoxy-3-methyl-4-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (5E)-5-[(2-methoxy-3-methyl-4-sulfonato-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: disodium (5E)-5-[(2-methoxy-3-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: disodium (5E)-5-[(2-methoxy-3-methyl-4-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: disodium (5E)-6-keto-5-[(2-methoxy-3-methyl-4-sulfonato-phenyl)hydrazono]naphthalene-2-sulfonate Formula: C18H14N2Na2O8S2 MolecularWeight: 496.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1OC)N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

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