2-[2,3,6-tris(fluoranyl)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2,3,6-tris(fluoranyl)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2,3,6-trifluorophenyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,3,6-trifluorophenyl)ethyl ester IUPAC Name: 2-(2,3,6-trifluorophenyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2,3,6-trifluorophenyl)ethyl ester Formula: C15H13F3O3S MolecularWeight: 330.32213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(C=CC(=C2F)F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C(C=CC(=C2F)F)F

InChI

InChI=1S/C15H13F3O3S/c1-10-2-4-11(5-3-10)22(19,20)21-9-8-12-13(16)6-7-14(17)15(12)18/h2-7H,8-9H2,1H3