3-methyl-4-(thian-1-ium-1-yl)phenol chloride

Systemtic Name: 3-methyl-4-(thian-1-ium-1-yl)phenol chloride Openeye Name: 3-methyl-4-tetrahydrothiopyran-1-ium-1-yl-phenol chloride CAS Name: 3-methyl-4-(1-thian-1-iumyl)phenol chloride IUPAC Name: 3-methyl-4-(thian-1-ium-1-yl)phenol chloride Traditional Name: 3-methyl-4-tetrahydrothiopyran-1-ium-1-yl-phenol chloride Formula: C12H17ClOS MolecularWeight: 244.78078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)[S+]2CCCCC2.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)O)[S+]2CCCCC2.[Cl-]

InChI

InChI=1S/C12H16OS.ClH/c1-10-9-11(13)5-6-12(10)14-7-3-2-4-8-14;/h5-6,9H,2-4,7-8H2,1H3;1H