phenyl 3-nitro-6-phenylperoxysulfanyl-pyridine-2-sulfinate

Systemtic Name: phenyl 3-nitro-6-phenylperoxysulfanyl-pyridine-2-sulfinate Openeye Name: phenyl 3-nitro-6-phenylperoxysulfanyl-pyridine-2-sulfinate CAS Name: 3-nitro-6-(phenyldioxythio)-2-pyridinesulfinic acid phenyl ester IUPAC Name: phenyl 3-nitro-6-phenylperoxysulfanylpyridine-2-sulfinate Traditional Name: 3-nitro-6-(phenylperoxythio)pyridine-2-sulfinic acid phenyl ester Formula: C17H12N2O6S2 MolecularWeight: 404.41698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OOSC2=NC(=C(C=C2)[N+](=O)[O-])S(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OOSC2=NC(=C(C=C2)[N+](=O)[O-])S(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H12N2O6S2/c20-19(21)15-11-12-16(26-25-23-13-7-3-1-4-8-13)18-17(15)27(22)24-14-9-5-2-6-10-14/h1-12H