methyl 4-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-triflyloxy-2-naphthyl]benzoic acid methyl ester Formula: C29H27F3O5S MolecularWeight: 544.58189

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OS(=O)(=O)C(F)(F)F)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OS(=O)(=O)C(F)(F)F)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H27F3O5S/c1-36-27(33)21-4-2-20(3-5-21)22-6-7-23-13-26(37-38(34,35)29(30,31)32)25(12-24(23)11-22)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3