[3-(dipropylamino)-3,4-dihydro-2H-thiochromen-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(dipropylamino)-3,4-dihydro-2H-thiochromen-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(dipropylamino)thiochroman-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(dipropylamino)-3,4-dihydro-2H-1-benzothiopyran-5-yl] ester IUPAC Name: [3-(dipropylamino)-3,4-dihydro-2H-thiochromen-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(dipropylamino)thiochroman-5-yl] ester Formula: C16H22F3NO3S2 MolecularWeight: 397.47599

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CC2=C(C=CC=C2SC1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCN(CCC)C1CC2=C(C=CC=C2SC1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H22F3NO3S2/c1-3-8-20(9-4-2)12-10-13-14(6-5-7-15(13)24-11-12)23-25(21,22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3