methyl 6-[3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)phenyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(1-adamantyl)-4-(trifluoromethylsulfonyloxy)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-triflyloxy-phenyl]naphthalene-2-carboxylic acid methyl ester Formula: C29H27F3O5S MolecularWeight: 544.58189

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)C45CC6CC(C4)CC(C6)C5

InChI

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