[5-[4-(2-phenylmethoxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [5-[4-(2-phenylmethoxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [5-[4-(2-benzyloxyethoxy)phenyl]-6-(4-pyridyl)-7,8-dihydronaphthalen-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [5-[4-(2-phenylmethoxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-yl] ester IUPAC Name: [5-[4-(2-phenylmethoxyethoxy)phenyl]-6-pyridin-4-yl-7,8-dihydronaphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [5-[4-(2-benzoxyethoxy)phenyl]-6-(4-pyridyl)-7,8-dihydronaphthalen-2-yl] ester Formula: C31H26F3NO5S MolecularWeight: 581.60205

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)OCCOCC4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC(=C(C2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)OCCOCC4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C31H26F3NO5S/c32-31(33,34)41(36,37)40-27-11-13-29-25(20-27)8-12-28(23-14-16-35-17-15-23)30(29)24-6-9-26(10-7-24)39-19-18-38-21-22-4-2-1-3-5-22/h1-7,9-11,13-17,20H,8,12,18-19,21H2