4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-2-(trifluoromethyl)benzoic acid

Systemtic Name: 4-[3-(1-adamantyl)-4-methoxy-phenyl]carbonyloxy-2-(trifluoromethyl)benzoic acid Openeye Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-2-(trifluoromethyl)benzoic acid CAS Name: 4-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethoxy]-2-(trifluoromethyl)benzoic acid IUPAC Name: 4-[3-(1-adamantyl)-4-methoxybenzoyl]oxy-2-(trifluoromethyl)benzoic acid Traditional Name: 4-[3-(1-adamantyl)-4-methoxy-benzoyl]oxy-2-(trifluoromethyl)benzoic acid Formula: C26H25F3O5 MolecularWeight: 474.46891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H25F3O5/c1-33-22-5-2-17(9-21(22)25-11-14-6-15(12-25)8-16(7-14)13-25)24(32)34-18-3-4-19(23(30)31)20(10-18)26(27,28)29/h2-5,9-10,14-16H,6-8,11-13H2,1H3,(H,30,31)