3-methyl-4-oxidanylidene-5-phenylsulfanyl-pentanal

Systemtic Name: 3-methyl-4-oxidanylidene-5-phenylsulfanyl-pentanal Openeye Name: 3-methyl-4-oxo-5-phenylsulfanyl-pentanal CAS Name: 3-methyl-4-oxo-5-(phenylthio)pentanal IUPAC Name: 3-methyl-4-oxo-5-phenylsulfanylpentanal Traditional Name: 4-keto-3-methyl-5-(phenylthio)valeraldehyde Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(CC=O)C(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-10(7-8-13)12(14)9-15-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3