2-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]-5-methylsulfanyl-1,3-dioxane

Systemtic Name: 2-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]-5-methylsulfanyl-1,3-dioxane Openeye Name: 5-methylsulfanyl-2-[(E)-4-(p-tolyl)but-3-en-1-ynyl]-1,3-dioxane CAS Name: 2-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]-5-(methylthio)-1,3-dioxane IUPAC Name: 2-[(E)-4-(4-methylphenyl)but-3-en-1-ynyl]-5-methylsulfanyl-1,3-dioxane Traditional Name: 5-(methylthio)-2-[(E)-4-(p-tolyl)but-3-en-1-ynyl]-1,3-dioxane Formula: C16H18O2S MolecularWeight: 274.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC#CC2OCC(CO2)SC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C#CC2OCC(CO2)SC

InChI

InChI=1S/C16H18O2S/c1-13-7-9-14(10-8-13)5-3-4-6-16-17-11-15(19-2)12-18-16/h3,5,7-10,15-16H,11-12H2,1-2H3/b5-3+