methyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[(5,5-dimethyl-8-triflyloxy-6H-naphthalen-2-yl)thio]methyl]benzoic acid methyl ester Formula: C22H21F3O5S2 MolecularWeight: 486.52435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)SCC3=CC=C(C=C3)C(=O)OC)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)SCC3=CC=C(C=C3)C(=O)OC)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C22H21F3O5S2/c1-21(2)11-10-19(30-32(27,28)22(23,24)25)17-12-16(8-9-18(17)21)31-13-14-4-6-15(7-5-14)20(26)29-3/h4-10,12H,11,13H2,1-3H3