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methyl (2R,3S)-2-methanoyl-3-(4-nitrophenyl)-3-thiocyanato-propanoate
methyl (2R,3S)-2-methanoyl-3-(4-nitrophenyl)-3-thiocyanato-propanoate
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Descriptors Computed from Structure
Canonical SMILES:
COC(=O)C(C=O)C(C1=CC=C(C=C1)[N+](=O)[O-])SC#N
Isomeric SMILES
COC(=O)[C@@H](C=O)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])SC#N
InChI
InChI=1S/C12H10N2O5S/c1-19-12(16)10(6-15)11(20-7-13)8-2-4-9(5-3-8)14(17)18/h2-6,10-11H,1H3/t10-,11+/m0/s1
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