[1-[2-(1-adamantyl)quinazolin-4-yl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [1-[2-(1-adamantyl)quinazolin-4-yl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [1-[2-(1-adamantyl)quinazolin-4-yl]-2-naphthyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-[2-(1-adamantyl)-4-quinazolinyl]-2-naphthalenyl] ester IUPAC Name: [1-[2-(1-adamantyl)quinazolin-4-yl]naphthalen-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [1-[2-(1-adamantyl)quinazolin-4-yl]-2-naphthyl] ester Formula: C29H25F3N2O3S MolecularWeight: 538.58061

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=N4)C6=C(C=CC7=CC=CC=C76)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=N4)C6=C(C=CC7=CC=CC=C76)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C29H25F3N2O3S/c30-29(31,32)38(35,36)37-24-10-9-20-5-1-2-6-21(20)25(24)26-22-7-3-4-8-23(22)33-27(34-26)28-14-17-11-18(15-28)13-19(12-17)16-28/h1-10,17-19H,11-16H2