1-nitro-4-(2-sulfosulfanylethanoyl)benzene

Systemtic Name: 1-nitro-4-(2-sulfosulfanylethanoyl)benzene Openeye Name: 1-nitro-4-(2-sulfosulfanylacetyl)benzene CAS Name: 1-nitro-4-[1-oxo-2-(sulfothio)ethyl]benzene IUPAC Name: 1-nitro-4-(2-sulfosulfanylacetyl)benzene Traditional Name: 1-nitro-4-[2-(sulfothio)acetyl]benzene Formula: C8H7NO6S2 MolecularWeight: 277.27428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO6S2/c10-8(5-16-17(13,14)15)6-1-3-7(4-2-6)9(11)12/h1-4H,5H2,(H,13,14,15)