3-nitro-4-[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfanyl-benzoate

Systemtic Name: 3-nitro-4-[(2R)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfanyl-benzoate Openeye Name: 4-[(1R)-1-methyl-2-oxido-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 3-nitro-4-[[(2R)-1-oxido-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 3-nitro-4-[(2R)-1-oxido-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1R)-2-keto-1-methyl-2-oxido-ethyl]thio]-3-nitro-benzoate Formula: C10H7NO6S-2 MolecularWeight: 269.23068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H9NO6S/c1-5(9(12)13)18-8-3-2-6(10(14)15)4-7(8)11(16)17/h2-5H,1H3,(H,12,13)(H,14,15)/p-2/t5-/m1/s1