[4-phenylmethoxy-3-(1,2,2-trimethylcyclopentyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-phenylmethoxy-3-(1,2,2-trimethylcyclopentyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-benzyloxy-3-(1,2,2-trimethylcyclopentyl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-phenylmethoxy-3-(1,2,2-trimethylcyclopentyl)phenyl] ester IUPAC Name: [4-phenylmethoxy-3-(1,2,2-trimethylcyclopentyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-benzoxy-3-(1,2,2-trimethylcyclopentyl)phenyl] ester Formula: C22H25F3O4S MolecularWeight: 442.49171

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC1(C)C2=C(C=CC(=C2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CCCC1(C)C2=C(C=CC(=C2)OS(=O)(=O)C(F)(F)F)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25F3O4S/c1-20(2)12-7-13-21(20,3)18-14-17(29-30(26,27)22(23,24)25)10-11-19(18)28-15-16-8-5-4-6-9-16/h4-6,8-11,14H,7,12-13,15H2,1-3H3