2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-ol; phenylmercury

Systemtic Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-ol; phenylmercury Openeye Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-ol; phenylmercury CAS Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)-2-propanol; phenylmercury IUPAC Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-ol; phenylmercury Traditional Name: 2-(5-tert-butyl-3,3-dimethyl-2,1-benzoxathiol-1-ium-7-yl)propan-2-ol; phenylmercury Formula: C22H30HgO2S+ MolecularWeight: 559.1274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2[SH+]O1)C(C)(C)O)C(C)(C)C)C.C1=CC=C(C=C1)[Hg]

Isomeric SMILES

CC1(C2=CC(=CC(=C2[SH+]O1)C(C)(C)O)C(C)(C)C)C.C1=CC=C(C=C1)[Hg]

InChI

InChI=1S/C16H24O2S.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;/h8-9,17H,1-7H3;1-5H;/p+1