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

Systemtic Name: 2-(thian-1-ium-1-yl)benzene-1,4-diol perchlorate Openeye Name: 2-tetrahydrothiopyran-1-ium-1-ylbenzene-1,4-diol perchlorate CAS Name: 2-(1-thian-1-iumyl)benzene-1,4-diol perchlorate IUPAC Name: 2-(thian-1-ium-1-yl)benzene-1,4-diol perchlorate Traditional Name: 2-tetrahydrothiopyran-1-ium-1-ylhydroquinone perchlorate Formula: C11H15ClO6S MolecularWeight: 310.7512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S.ClHO4/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-14;2-1(3,4)5/h4-5,8H,1-3,6-7H2,(H-,12,13);(H,2,3,4,5)