sodium (3Z)-3-[(4-azanyl-2-methoxy-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3Z)-3-[(4-azanyl-2-methoxy-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3Z)-3-[(4-amino-2-methoxy-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3Z)-3-[(4-amino-2-methoxyphenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3Z)-3-[(4-amino-2-methoxyphenyl)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3Z)-3-[(4-amino-2-methoxy-phenyl)hydrazono]-4-keto-cyclohexa-1,5-diene-1-sulfonate Formula: C13H12N3NaO5S MolecularWeight: 345.30625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)NN=C2C=C(C=CC2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N)N/N=C\2/C=C(C=CC2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H13N3O5S.Na/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17;/h2-7,15H,14H2,1H3,(H,18,19,20);/q;+1/p-1/b16-11-;