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

Systemtic Name: 2-(4-hexylthian-1-ium-1-yl)benzene-1,4-diol chloride Openeye Name: 2-(4-hexyltetrahydrothiopyran-1-ium-1-yl)benzene-1,4-diol chloride CAS Name: 2-(4-hexyl-1-thian-1-iumyl)benzene-1,4-diol chloride IUPAC Name: 2-(4-hexylthian-1-ium-1-yl)benzene-1,4-diol chloride Traditional Name: 2-(4-hexyltetrahydrothiopyran-1-ium-1-yl)hydroquinone chloride Formula: C17H27ClO2S MolecularWeight: 330.91308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC[S+](CC1)C2=C(C=CC(=C2)O)O.[Cl-]

Isomeric SMILES

CCCCCCC1CC[S+](CC1)C2=C(C=CC(=C2)O)O.[Cl-]

InChI

InChI=1S/C17H26O2S.ClH/c1-2-3-4-5-6-14-9-11-20(12-10-14)17-13-15(18)7-8-16(17)19;/h7-8,13-14H,2-6,9-12H2,1H3,(H-,18,19);1H