3,5-bis[2,2,2-tris(fluoranyl)ethyl]adamantane-1-carboxylic acid

Systemtic Name: 3,5-bis[2,2,2-tris(fluoranyl)ethyl]adamantane-1-carboxylic acid Openeye Name: 3,5-bis(2,2,2-trifluoroethyl)adamantane-1-carboxylic acid CAS Name: 3,5-bis(2,2,2-trifluoroethyl)-1-adamantanecarboxylic acid IUPAC Name: 3,5-bis(2,2,2-trifluoroethyl)adamantane-1-carboxylic acid Traditional Name: 3,5-bis(2,2,2-trifluoroethyl)adamantane-1-carboxylic acid Formula: C15H18F6O2 MolecularWeight: 344.292639

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1(CC(C2)(C3)C(=O)O)CC(F)(F)F)CC(F)(F)F

Isomeric SMILES

C1C2CC3(CC1(CC(C2)(C3)C(=O)O)CC(F)(F)F)CC(F)(F)F

InChI

InChI=1S/C15H18F6O2/c16-14(17,18)7-11-1-9-2-12(4-11,8-15(19,20)21)6-13(3-9,5-11)10(22)23/h9H,1-8H2,(H,22,23)