3-ethanoyl-2-methyl-3-methylsulfanyl-hex-5-enal

Systemtic Name: 3-ethanoyl-2-methyl-3-methylsulfanyl-hex-5-enal Openeye Name: 3-acetyl-2-methyl-3-methylsulfanyl-hex-5-enal CAS Name: 3-acetyl-2-methyl-3-(methylthio)-5-hexenal IUPAC Name: 3-acetyl-2-methyl-3-methylsulfanylhex-5-enal Traditional Name: 3-acetyl-2-methyl-3-(methylthio)hex-5-enal Formula: C10H16O2S MolecularWeight: 200.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C(CC=C)(C(=O)C)SC

Isomeric SMILES

CC(C=O)C(CC=C)(C(=O)C)SC

InChI

InChI=1S/C10H16O2S/c1-5-6-10(13-4,9(3)12)8(2)7-11/h5,7-8H,1,6H2,2-4H3