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

Systemtic Name: 4-methyl-1-(4-methylsulfanylphenyl)pent-2-yne-1,4-diol Openeye Name: 4-methyl-1-(4-methylsulfanylphenyl)pent-2-yne-1,4-diol CAS Name: 4-methyl-1-[4-(methylthio)phenyl]-2-pentyne-1,4-diol IUPAC Name: 4-methyl-1-(4-methylsulfanylphenyl)pent-2-yne-1,4-diol Traditional Name: 4-methyl-1-[4-(methylthio)phenyl]pent-2-yne-1,4-diol Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-13(2,15)9-8-12(14)10-4-6-11(16-3)7-5-10/h4-7,12,14-15H,1-3H3