1-(4-tert-butylphenyl)-1-(phenylmethyl)-3,3-bis(trifluoromethyl)-2,1-benzoxastibol-1-ium

Systemtic Name: 1-(4-tert-butylphenyl)-1-(phenylmethyl)-3,3-bis(trifluoromethyl)-2,1-benzoxastibol-1-ium Openeye Name: 1-benzyl-1-(4-tert-butylphenyl)-3,3-bis(trifluoromethyl)-2,1-benzoxastibol-1-ium CAS Name: 1-(4-tert-butylphenyl)-1-(phenylmethyl)-3,3-bis(trifluoromethyl)-2,1-benzoxastibol-1-ium IUPAC Name: 1-benzyl-1-(4-tert-butylphenyl)-3,3-bis(trifluoromethyl)-2,1-benzoxastibol-1-ium Traditional Name: 1-benzyl-1-(4-tert-butylphenyl)-3,3-bis(trifluoromethyl)-2,1-benzoxantimonol-1-ium Formula: C26H24F6OSb+ MolecularWeight: 588.218579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[Sb+]2(C3=CC=CC=C3C(O2)(C(F)(F)F)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[Sb+]2(C3=CC=CC=C3C(O2)(C(F)(F)F)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C10H13.C9H4F6O.C7H7.Sb/c1-10(2,3)9-7-5-4-6-8-9;10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;/h5-8H,1-3H3;1-4H;2-6H,1H2;/q;-1;;+2