[2-[bis(1-adamantyl)methyl]thiophen-3-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-[bis(1-adamantyl)methyl]thiophen-3-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[bis(1-adamantyl)methyl]-3-thienyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [2-[bis(1-adamantyl)methyl]-3-thiophenyl] ester IUPAC Name: [2-[bis(1-adamantyl)methyl]thiophen-3-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [2-[bis(1-adamantyl)methyl]-3-thienyl] ester Formula: C27H33F3O2S MolecularWeight: 478.60993

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C4=C(C=CS4)OC(=O)C(F)(F)F)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C4=C(C=CS4)OC(=O)C(F)(F)F)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C27H33F3O2S/c28-27(29,30)24(31)32-21-1-2-33-22(21)23(25-9-15-3-16(10-25)5-17(4-15)11-25)26-12-18-6-19(13-26)8-20(7-18)14-26/h1-2,15-20,23H,3-14H2