[3-(2-dimethylaminoethyl)-1H-indol-5-yl] tris(fluoranyl)methanesulfonate; ethanedioic acid

Systemtic Name: [3-(2-dimethylaminoethyl)-1H-indol-5-yl] tris(fluoranyl)methanesulfonate; ethanedioic acid Openeye Name: [3-(2-dimethylaminoethyl)-1H-indol-5-yl] trifluoromethanesulfonate; oxalic acid CAS Name: oxalic acid; trifluoromethanesulfonic acid [3-(2-dimethylaminoethyl)-1H-indol-5-yl] ester IUPAC Name: [3-(2-dimethylaminoethyl)-1H-indol-5-yl] trifluoromethanesulfonate; oxalic acid Traditional Name: oxalic acid; trifluoromethanesulfonic acid [3-(2-dimethylaminoethyl)-1H-indol-5-yl] ester Formula: C15H17F3N2O7S MolecularWeight: 426.36489

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CNC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H15F3N2O3S.C2H2O4/c1-18(2)6-5-9-8-17-12-4-3-10(7-11(9)12)21-22(19,20)13(14,15)16;3-1(4)2(5)6/h3-4,7-8,17H,5-6H2,1-2H3;(H,3,4)(H,5,6)