2-[(4Z)-4-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[(4Z)-4-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[(4Z)-4-[(2-hydroxy-5-nitro-phenyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[[(4Z)-4-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]sulfonyl]ethyl ester IUPAC Name: 2-[(4Z)-4-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[(4Z)-4-[(2-hydroxy-5-nitro-phenyl)hydrazono]-3-keto-cyclohexa-1,5-dien-1-yl]sulfonylethyl ester Formula: C14H13N3O10S2 MolecularWeight: 447.39712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O10S2/c18-13-4-1-9(17(20)21)7-12(13)16-15-11-3-2-10(8-14(11)19)28(22,23)6-5-27-29(24,25)26/h1-4,7-8,16,18H,5-6H2,(H,24,25,26)/b15-11-