(4-nitrophenyl)methylsulfanyl hydrogen sulfate

Systemtic Name: (4-nitrophenyl)methylsulfanyl hydrogen sulfate Openeye Name: (4-nitrophenyl)methylsulfanyl hydrogen sulfate CAS Name: (4-nitrophenyl)methanesulfenic acid sulfo ester IUPAC Name: (4-nitrophenyl)methylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid [(4-nitrobenzyl)thio] ester Formula: C7H7NO6S2 MolecularWeight: 265.26358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSOS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSOS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H7NO6S2/c9-8(10)7-3-1-6(2-4-7)5-15-14-16(11,12)13/h1-4H,5H2,(H,11,12,13)