[4-(2-adamantyl)-3-chloranyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-adamantyl)-3-chloranyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-adamantyl)-3-chloro-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-(2-adamantyl)-3-chlorophenyl] ester IUPAC Name: [4-(2-adamantyl)-3-chlorophenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-adamantyl)-3-chloro-phenyl] ester Formula: C17H18ClF3O3S MolecularWeight: 394.83623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=C(C=C(C=C4)OS(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=C(C=C(C=C4)OS(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C17H18ClF3O3S/c18-15-8-13(24-25(22,23)17(19,20)21)1-2-14(15)16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2