2-(3-cyclohexylthian-1-ium-1-yl)benzene-1,4-diol chloride

Systemtic Name: 2-(3-cyclohexylthian-1-ium-1-yl)benzene-1,4-diol chloride Openeye Name: 2-(3-cyclohexyltetrahydrothiopyran-1-ium-1-yl)benzene-1,4-diol chloride CAS Name: 2-(3-cyclohexyl-1-thian-1-iumyl)benzene-1,4-diol chloride IUPAC Name: 2-(3-cyclohexylthian-1-ium-1-yl)benzene-1,4-diol chloride Traditional Name: 2-(3-cyclohexyltetrahydrothiopyran-1-ium-1-yl)hydroquinone chloride Formula: C17H25ClO2S MolecularWeight: 328.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC[S+](C2)C3=C(C=CC(=C3)O)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)C2CCC[S+](C2)C3=C(C=CC(=C3)O)O.[Cl-]

InChI

InChI=1S/C17H24O2S.ClH/c18-15-8-9-16(19)17(11-15)20-10-4-7-14(12-20)13-5-2-1-3-6-13;/h8-9,11,13-14H,1-7,10,12H2,(H-,18,19);1H