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

Systemtic Name: ethyl 3-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]-2H-thiophene-3-carboxylate Openeye Name: ethyl 3-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthyl]-2H-thiophene-3-carboxylate CAS Name: 3-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthalenyl]-2H-thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]-2H-thiophene-3-carboxylate Traditional Name: 3-[7-(1-adamantyl)-6-triflyloxy-2-naphthyl]-2H-thiophene-3-carboxylic acid ethyl ester Formula: C28H29F3O5S2 MolecularWeight: 566.65207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29F3O5S2/c1-2-35-25(32)27(5-6-37-16-27)22-4-3-20-12-24(36-38(33,34)28(29,30)31)23(11-21(20)10-22)26-13-17-7-18(14-26)9-19(8-17)15-26/h3-6,10-12,17-19H,2,7-9,13-16H2,1H3