[3-[[4-isocyano-3-(trifluoromethyl)phenyl]amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] methanesulfonate

Systemtic Name: [3-[[4-isocyano-3-(trifluoromethyl)phenyl]amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propyl] methanesulfonate Openeye Name: [2-hydroxy-3-[4-isocyano-3-(trifluoromethyl)anilino]-2-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-hydroxy-3-[4-isocyano-3-(trifluoromethyl)anilino]-2-methyl-3-oxopropyl] ester IUPAC Name: [2-hydroxy-3-[4-isocyano-3-(trifluoromethyl)anilino]-2-methyl-3-oxopropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-hydroxy-3-[4-isocyano-3-(trifluoromethyl)anilino]-3-keto-2-methyl-propyl] ester Formula: C13H13F3N2O5S MolecularWeight: 366.31293

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)C)(C(=O)NC1=CC(=C(C=C1)[N+]#[C-])C(F)(F)F)O

Isomeric SMILES

CC(COS(=O)(=O)C)(C(=O)NC1=CC(=C(C=C1)[N+]#[C-])C(F)(F)F)O

InChI

InChI=1S/C13H13F3N2O5S/c1-12(20,7-23-24(3,21)22)11(19)18-8-4-5-10(17-2)9(6-8)13(14,15)16/h4-6,20H,7H2,1,3H3,(H,18,19)