[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1-(trifluoromethylsulfonyl)pyrrol-2-yl]-tritio-methyl]azanium chloride

Systemtic Name: [[3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-1-(trifluoromethylsulfonyl)pyrrol-2-yl]-tritio-methyl]azanium chloride Openeye Name: [[3-(2-methoxy-2-oxo-ethyl)-4-(3-methoxy-3-oxo-propyl)-1-(trifluoromethylsulfonyl)pyrrol-2-yl]-tritio-methyl]ammonium chloride CAS Name: [[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1-(trifluoromethylsulfonyl)-2-pyrrolyl]-tritiomethyl]ammonium chloride IUPAC Name: [[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1-(trifluoromethylsulfonyl)pyrrol-2-yl]-tritiomethyl]azanium chloride Traditional Name: [[3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-1-triflyl-pyrrol-2-yl]-tritio-methyl]ammonium chloride Formula: C13H18ClF3N2O6S MolecularWeight: 424.813139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C(=C1CC(=O)OC)C[NH3+])S(=O)(=O)C(F)(F)F.[Cl-]

Isomeric SMILES

[3H]C(C1=C(C(=CN1S(=O)(=O)C(F)(F)F)CCC(=O)OC)CC(=O)OC)[NH3+].[Cl-]

InChI

InChI=1S/C13H17F3N2O6S.ClH/c1-23-11(19)4-3-8-7-18(25(21,22)13(14,15)16)10(6-17)9(8)5-12(20)24-2;/h7H,3-6,17H2,1-2H3;1H/i6T;