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

Systemtic Name: 2-[(3S)-3-butylthian-1-ium-1-yl]benzene-1,4-diol Openeye Name: 2-[(3S)-3-butyltetrahydrothiopyran-1-ium-1-yl]benzene-1,4-diol CAS Name: 2-[(3S)-3-butyl-1-thian-1-iumyl]benzene-1,4-diol IUPAC Name: 2-[(3S)-3-butylthian-1-ium-1-yl]benzene-1,4-diol Traditional Name: 2-[(3S)-3-butyltetrahydrothiopyran-1-ium-1-yl]hydroquinone Formula: C15H23O2S+ MolecularWeight: 267.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC[S+](C1)C2=C(C=CC(=C2)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H22O2S/c1-2-3-5-12-6-4-9-18(11-12)15-10-13(16)7-8-14(15)17/h7-8,10,12H,2-6,9,11H2,1H3,(H-,16,17)/p+1/t12-,18?/m0/s1