6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one

Systemtic Name: 6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one Openeye Name: 6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one CAS Name: 6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one IUPAC Name: 6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-3-one Traditional Name: 6-tert-butyl-2-ethyl-7a-(4-fluorophenyl)-2-methyl-3a-[4-(trifluoromethyl)phenyl]indoxazen-2-ium-3-one Formula: C27H28F4NO2+ MolecularWeight: 474.510333

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C2(C=CC(=CC2(O1)C3=CC=C(C=C3)F)C(C)(C)C)C4=CC=C(C=C4)C(F)(F)F)C

Isomeric SMILES

CC[N+]1(C(=O)C2(C=CC(=CC2(O1)C3=CC=C(C=C3)F)C(C)(C)C)C4=CC=C(C=C4)C(F)(F)F)C

InChI

InChI=1S/C27H28F4NO2/c1-6-32(5)23(33)25(18-7-9-20(10-8-18)27(29,30)31)16-15-21(24(2,3)4)17-26(25,34-32)19-11-13-22(28)14-12-19/h7-17H,6H2,1-5H3/q+1