2-(thian-1-ium-1-yl)benzene-1,4-diol chloride hydrate

Systemtic Name: 2-(thian-1-ium-1-yl)benzene-1,4-diol chloride hydrate Openeye Name: 2-tetrahydrothiopyran-1-ium-1-ylbenzene-1,4-diol chloride hydrate CAS Name: 2-(1-thian-1-iumyl)benzene-1,4-diol chloride hydrate IUPAC Name: 2-(thian-1-ium-1-yl)benzene-1,4-diol chloride hydrate Traditional Name: 2-tetrahydrothiopyran-1-ium-1-ylhydroquinone chloride hydrate Formula: C11H17ClO3S MolecularWeight: 264.76888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](CC1)C2=C(C=CC(=C2)O)O.O.[Cl-]

Isomeric SMILES

C1CC[S+](CC1)C2=C(C=CC(=C2)O)O.O.[Cl-]

InChI

InChI=1S/C11H14O2S.ClH.H2O/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-14;;/h4-5,8H,1-3,6-7H2,(H-,12,13);1H;1H2