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propan-2-yl 2-[4-[(S)-methylsulfinyl]-2-nitro-phenyl]sulfonylethanoate
propan-2-yl 2-[4-[(S)-methylsulfinyl]-2-nitro-phenyl]sulfonylethanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)C)[N+](=O)[O-]
Isomeric SMILES
CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)[S@@](=O)C)[N+](=O)[O-]
InChI
InChI=1S/C12H15NO7S2/c1-8(2)20-12(14)7-22(18,19)11-5-4-9(21(3)17)6-10(11)13(15)16/h4-6,8H,7H2,1-3H3/t21-/m0/s1
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