dimethyl (2S,3R)-3-oxidanyl-1-(trifluoromethylsulfonyl)-2H-indole-2,3-dicarboxylate

Systemtic Name: dimethyl (2S,3R)-3-oxidanyl-1-(trifluoromethylsulfonyl)-2H-indole-2,3-dicarboxylate Openeye Name: dimethyl (2S,3R)-3-hydroxy-1-(trifluoromethylsulfonyl)indoline-2,3-dicarboxylate CAS Name: (2S,3R)-3-hydroxy-1-(trifluoromethylsulfonyl)-2H-indole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-3-hydroxy-1-(trifluoromethylsulfonyl)-2H-indole-2,3-dicarboxylate Traditional Name: (2S,3R)-3-hydroxy-1-triflyl-indoline-2,3-dicarboxylic acid dimethyl ester Formula: C13H12F3NO7S MolecularWeight: 383.29709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)(C(=O)OC)O

Isomeric SMILES

COC(=O)[C@@H]1[C@](C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)(C(=O)OC)O

InChI

InChI=1S/C13H12F3NO7S/c1-23-10(18)9-12(20,11(19)24-2)7-5-3-4-6-8(7)17(9)25(21,22)13(14,15)16/h3-6,9,20H,1-2H3/t9-,12-/m1/s1