2-(4-methylsulfanylphenyl)-1-prop-1-ynyl-cyclohexane-1,3-diol

Systemtic Name: 2-(4-methylsulfanylphenyl)-1-prop-1-ynyl-cyclohexane-1,3-diol Openeye Name: 2-(4-methylsulfanylphenyl)-1-prop-1-ynyl-cyclohexane-1,3-diol CAS Name: 2-[4-(methylthio)phenyl]-1-prop-1-ynylcyclohexane-1,3-diol IUPAC Name: 2-(4-methylsulfanylphenyl)-1-prop-1-ynylcyclohexane-1,3-diol Traditional Name: 2-[4-(methylthio)phenyl]-1-prop-1-ynyl-cyclohexane-1,3-diol Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCCC(C1C2=CC=C(C=C2)SC)O)O

Isomeric SMILES

CC#CC1(CCCC(C1C2=CC=C(C=C2)SC)O)O

InChI

InChI=1S/C16H20O2S/c1-3-10-16(18)11-4-5-14(17)15(16)12-6-8-13(19-2)9-7-12/h6-9,14-15,17-18H,4-5,11H2,1-2H3