[4-[3-(azepan-1-yl)prop-1-ynyl]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[3-(azepan-1-yl)prop-1-ynyl]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-[3-(azepan-1-yl)prop-1-ynyl]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[3-(1-azepanyl)prop-1-ynyl]phenyl] ester IUPAC Name: [4-[3-(azepan-1-yl)prop-1-ynyl]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-[3-(azepan-1-yl)prop-1-ynyl]phenyl] ester Formula: C16H18F3NO3S MolecularWeight: 361.37923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)CC#CC2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H18F3NO3S/c17-16(18,19)24(21,22)23-15-9-7-14(8-10-15)6-5-13-20-11-3-1-2-4-12-20/h7-10H,1-4,11-13H2