(2,6-dimethyl-3-phenyl-phenyl)methyl 2,2,2-tris(fluoranyl)ethanesulfonate

Systemtic Name: (2,6-dimethyl-3-phenyl-phenyl)methyl 2,2,2-tris(fluoranyl)ethanesulfonate Openeye Name: (2,6-dimethyl-3-phenyl-phenyl)methyl 2,2,2-trifluoroethanesulfonate CAS Name: 2,2,2-trifluoroethanesulfonic acid (2,6-dimethyl-3-phenylphenyl)methyl ester IUPAC Name: (2,6-dimethyl-3-phenylphenyl)methyl 2,2,2-trifluoroethanesulfonate Traditional Name: 2,2,2-trifluoroethanesulfonic acid (2,6-dimethyl-3-phenyl-benzyl) ester Formula: C17H17F3O3S MolecularWeight: 358.37529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=CC=CC=C2)C)COS(=O)(=O)CC(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=CC=CC=C2)C)COS(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C17H17F3O3S/c1-12-8-9-15(14-6-4-3-5-7-14)13(2)16(12)10-23-24(21,22)11-17(18,19)20/h3-9H,10-11H2,1-2H3