3-nitro-4-[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-benzoic acid Openeye Name: 4-[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]sulfanyl-3-nitro-benzoic acid CAS Name: 4-[[(2R)-1-hydroxy-1-oxopropan-2-yl]thio]-3-nitrobenzoic acid IUPAC Name: 4-[(2R)-1-hydroxy-1-oxopropan-2-yl]sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]thio]-3-nitro-benzoic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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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)/t5-/m1/s1