3-(trifluoromethyl)benzoate; triphenylsulfanium

Systemtic Name: 3-(trifluoromethyl)benzoate; triphenylsulfanium Openeye Name: 3-(trifluoromethyl)benzoate; triphenylsulfonium CAS Name: 3-(trifluoromethyl)benzoate; triphenylsulfonium IUPAC Name: 3-(trifluoromethyl)benzoate; triphenylsulfanium Traditional Name: 3-(trifluoromethyl)benzoate; triphenylsulfonium Formula: C26H19F3O2S MolecularWeight: 452.48807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC(=CC(=C1)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C18H15S.C8H5F3O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-15H;1-4H,(H,12,13)/q+1;/p-1