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

Systemtic Name: ethyl 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthyl]thiophene-3-carboxylate CAS Name: 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)-2-naphthalenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[7-(1-adamantyl)-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]thiophene-3-carboxylate Traditional Name: 5-[7-(1-adamantyl)-6-triflyloxy-2-naphthyl]thiophene-3-carboxylic acid ethyl ester Formula: C28H27F3O5S2 MolecularWeight: 564.63619

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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/C28H27F3O5S2/c1-2-35-26(32)22-11-25(37-15-22)20-4-3-19-10-24(36-38(33,34)28(29,30)31)23(9-21(19)8-20)27-12-16-5-17(13-27)7-18(6-16)14-27/h3-4,8-11,15-18H,2,5-7,12-14H2,1H3