disodium (3Z)-5-methyl-6-oxidanylidene-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3Z)-5-methyl-6-oxidanylidene-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3Z)-5-methyl-6-oxo-3-[(6-sulfonato-2-naphthyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3Z)-5-methyl-6-oxo-3-[(6-sulfonato-2-naphthalenyl)hydrazinylidene]-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3Z)-5-methyl-6-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]cyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3Z)-6-keto-5-methyl-3-[(6-sulfonato-2-naphthyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C18H12N2Na2O6S MolecularWeight: 430.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])C=C(C1=O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C/C(=N/NC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)[O-])/C=C(C1=O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H14N2O6S.2Na/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13;;/h2-9,19H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2/b20-14-;;