3,5-dimethyl-4-(thian-1-ium-1-yl)phenol

Systemtic Name: 3,5-dimethyl-4-(thian-1-ium-1-yl)phenol Openeye Name: 3,5-dimethyl-4-tetrahydrothiopyran-1-ium-1-yl-phenol CAS Name: 3,5-dimethyl-4-(1-thian-1-iumyl)phenol IUPAC Name: 3,5-dimethyl-4-(thian-1-ium-1-yl)phenol Traditional Name: 3,5-dimethyl-4-tetrahydrothiopyran-1-ium-1-yl-phenol Formula: C13H19OS+ MolecularWeight: 223.35436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18OS/c1-10-8-12(14)9-11(2)13(10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3/p+1