2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-yloxy-phenyl-mercury

Systemtic Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-yloxy-phenyl-mercury Openeye Name: [1-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)-1-methyl-ethoxy]-phenyl-mercury CAS Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-yloxy-phenylmercury IUPAC Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-yloxy-phenylmercury Traditional Name: [1-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)-1-methyl-ethoxy]-phenyl-mercury Formula: C22H29HgO2S+ MolecularWeight: 558.11946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2[SH+]O1)C(C)(C)O[Hg]C3=CC=CC=C3)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2[SH+]O1)C(C)(C)O[Hg]C3=CC=CC=C3)C(C)(C)C)C

InChI

InChI=1S/C16H23O2S.C6H5.Hg/c1-14(2,3)10-8-11(15(4,5)17)13-12(9-10)16(6,7)18-19-13;1-2-4-6-5-3-1;/h8-9H,1-7H3;1-5H;/q-1;;+1/p+1