[(E)-2-methyl-6-propylsulfanyl-hex-5-en-3-yn-2-yl] ethanoate

Systemtic Name: [(E)-2-methyl-6-propylsulfanyl-hex-5-en-3-yn-2-yl] ethanoate Openeye Name: [(E)-1,1-dimethyl-5-propylsulfanyl-pent-4-en-2-ynyl] acetate CAS Name: acetic acid [(E)-2-methyl-6-(propylthio)hex-5-en-3-yn-2-yl] ester IUPAC Name: [(E)-2-methyl-6-propylsulfanylhex-5-en-3-yn-2-yl] acetate Traditional Name: acetic acid [(E)-1,1-dimethyl-5-(propylthio)pent-4-en-2-ynyl] ester Formula: C12H18O2S MolecularWeight: 226.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC=CC#CC(C)(C)OC(=O)C

Isomeric SMILES

CCCS/C=C/C#CC(C)(C)OC(=O)C

InChI

InChI=1S/C12H18O2S/c1-5-9-15-10-7-6-8-12(3,4)14-11(2)13/h7,10H,5,9H2,1-4H3/b10-7+