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

Systemtic Name: 2-(4-phenylthian-1-ium-1-yl)benzene-1,4-diol chloride Openeye Name: 2-(4-phenyltetrahydrothiopyran-1-ium-1-yl)benzene-1,4-diol chloride CAS Name: 2-(4-phenyl-1-thian-1-iumyl)benzene-1,4-diol chloride IUPAC Name: 2-(4-phenylthian-1-ium-1-yl)benzene-1,4-diol chloride Traditional Name: 2-(4-phenyltetrahydrothiopyran-1-ium-1-yl)hydroquinone chloride Formula: C17H19ClO2S MolecularWeight: 322.84956

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Descriptors Computed from Structure

Canonical SMILES:

C1C[S+](CCC1C2=CC=CC=C2)C3=C(C=CC(=C3)O)O.[Cl-]

Isomeric SMILES

C1C[S+](CCC1C2=CC=CC=C2)C3=C(C=CC(=C3)O)O.[Cl-]

InChI

InChI=1S/C17H18O2S.ClH/c18-15-6-7-16(19)17(12-15)20-10-8-14(9-11-20)13-4-2-1-3-5-13;/h1-7,12,14H,8-11H2,(H-,18,19);1H