4-methyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol

Systemtic Name: 4-methyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol Openeye Name: 4-methyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol CAS Name: 4-methyl-1-[4-(methylthio)phenyl]-2-hexyne-1,4-diol IUPAC Name: 4-methyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol Traditional Name: 4-methyl-1-[4-(methylthio)phenyl]hex-2-yne-1,4-diol Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC(C1=CC=C(C=C1)SC)O)O

Isomeric SMILES

CCC(C)(C#CC(C1=CC=C(C=C1)SC)O)O

InChI

InChI=1S/C14H18O2S/c1-4-14(2,16)10-9-13(15)11-5-7-12(17-3)8-6-11/h5-8,13,15-16H,4H2,1-3H3