[7-(1-adamantyl)-1-oxidanylidene-8aH-naphthalen-2-yl] 2-(trifluoromethylsulfonyl)benzoate

Systemtic Name: [7-(1-adamantyl)-1-oxidanylidene-8aH-naphthalen-2-yl] 2-(trifluoromethylsulfonyl)benzoate Openeye Name: [7-(1-adamantyl)-1-oxo-8aH-naphthalen-2-yl] 2-(trifluoromethylsulfonyl)benzoate CAS Name: 2-(trifluoromethylsulfonyl)benzoic acid [7-(1-adamantyl)-1-oxo-8aH-naphthalen-2-yl] ester IUPAC Name: [7-(1-adamantyl)-1-oxo-8aH-naphthalen-2-yl] 2-(trifluoromethylsulfonyl)benzoate Traditional Name: 2-triflylbenzoic acid [7-(1-adamantyl)-1-keto-8aH-naphthalen-2-yl] ester Formula: C28H25F3O5S MolecularWeight: 530.55531

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5C(=CC=C(C5=O)OC(=O)C6=CC=CC=C6S(=O)(=O)C(F)(F)F)C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5C(=CC=C(C5=O)OC(=O)C6=CC=CC=C6S(=O)(=O)C(F)(F)F)C=C4

InChI

InChI=1S/C28H25F3O5S/c29-28(30,31)37(34,35)24-4-2-1-3-21(24)26(33)36-23-8-6-19-5-7-20(12-22(19)25(23)32)27-13-16-9-17(14-27)11-18(10-16)15-27/h1-8,12,16-18,22H,9-11,13-15H2