5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]thiophene-3-carboxylate

Systemtic Name: 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthalenyl]-3-thiophenecarboxylate IUPAC Name: 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-triflyloxy-2-naphthyl]-3-thenoate Formula: C26H22F3O5S2- MolecularWeight: 535.57509

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)C6=CC(=CS6)C(=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H23F3O5S2/c27-26(28,29)36(32,33)34-22-8-17-1-2-18(23-9-20(13-35-23)24(30)31)6-19(17)7-21(22)25-10-14-3-15(11-25)5-16(4-14)12-25/h1-2,6-9,13-16H,3-5,10-12H2,(H,30,31)/p-1