(4E)-4-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-(trioxidanylsulfanyl)naphthalen-1-one

Systemtic Name: (4E)-4-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-(trioxidanylsulfanyl)naphthalen-1-one Openeye Name: (4E)-4-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-(trioxidanylsulfanyl)naphthalen-1-one CAS Name: (8E)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: (4E)-4-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-(trioxidanylsulfanyl)naphthalen-1-one Traditional Name: (4E)-4-[(2-mesyl-4-nitro-phenyl)hydrazono]-5-(trioxidanylthio)naphthalen-1-one Formula: C17H13N3O8S2 MolecularWeight: 451.43042

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NN=C2C=CC(=O)C3=C2C(=CC=C3)SOOO

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C=CC(=O)C3=C2C(=CC=C3)SOOO

InChI

InChI=1S/C17H13N3O8S2/c1-30(25,26)16-9-10(20(22)23)5-6-12(16)18-19-13-7-8-14(21)11-3-2-4-15(17(11)13)29-28-27-24/h2-9,18,24H,1H3/b19-13+