(2-heptanoyl-4-phenylmethoxy-phenyl) tris(fluoranyl)methanesulfonate

Systemtic Name: (2-heptanoyl-4-phenylmethoxy-phenyl) tris(fluoranyl)methanesulfonate Openeye Name: (4-benzyloxy-2-heptanoyl-phenyl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(1-oxoheptyl)-4-phenylmethoxyphenyl] ester IUPAC Name: (2-heptanoyl-4-phenylmethoxyphenyl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-benzoxy-2-enanthyl-phenyl) ester Formula: C21H23F3O5S MolecularWeight: 444.46453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCC(=O)C1=C(C=CC(=C1)OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H23F3O5S/c1-2-3-4-8-11-19(25)18-14-17(28-15-16-9-6-5-7-10-16)12-13-20(18)29-30(26,27)21(22,23)24/h5-7,9-10,12-14H,2-4,8,11,15H2,1H3