2-[(3S)-3-methylthian-1-ium-1-yl]benzene-1,4-diol

Systemtic Name: 2-[(3S)-3-methylthian-1-ium-1-yl]benzene-1,4-diol Openeye Name: 2-[(3S)-3-methyltetrahydrothiopyran-1-ium-1-yl]benzene-1,4-diol CAS Name: 2-[(3S)-3-methyl-1-thian-1-iumyl]benzene-1,4-diol IUPAC Name: 2-[(3S)-3-methylthian-1-ium-1-yl]benzene-1,4-diol Traditional Name: 2-[(3S)-3-methyltetrahydrothiopyran-1-ium-1-yl]hydroquinone Formula: C12H17O2S+ MolecularWeight: 225.32718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[S+](C1)C2=C(C=CC(=C2)O)O

Isomeric SMILES

C[C@H]1CCC[S+](C1)C2=C(C=CC(=C2)O)O

InChI

InChI=1S/C12H16O2S/c1-9-3-2-6-15(8-9)12-7-10(13)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H-,13,14)/p+1/t9-,15?/m0/s1