[(E)-2-[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]ethenyl] benzoate

Systemtic Name: [(E)-2-[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]ethenyl] benzoate Openeye Name: [(E)-2-[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]vinyl] benzoate CAS Name: benzoic acid [(E)-2-[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]ethenyl] ester IUPAC Name: [(E)-2-[5,5-dimethyl-8-(trifluoromethylsulfonyl)-6H-naphthalen-2-yl]ethenyl] benzoate Traditional Name: benzoic acid [(E)-2-(5,5-dimethyl-8-triflyl-6H-naphthalen-2-yl)vinyl] ester Formula: C22H19F3O4S MolecularWeight: 436.44407

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C=COC(=O)C3=CC=CC=C3)S(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)/C=C/OC(=O)C3=CC=CC=C3)S(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C22H19F3O4S/c1-21(2)12-10-19(30(27,28)22(23,24)25)17-14-15(8-9-18(17)21)11-13-29-20(26)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3/b13-11+