2-methyl-4-oxidanylidene-5-phenylsulfanyl-pentanal

Systemtic Name: 2-methyl-4-oxidanylidene-5-phenylsulfanyl-pentanal Openeye Name: 2-methyl-4-oxo-5-phenylsulfanyl-pentanal CAS Name: 2-methyl-4-oxo-5-(phenylthio)pentanal IUPAC Name: 2-methyl-4-oxo-5-phenylsulfanylpentanal Traditional Name: 4-keto-2-methyl-5-(phenylthio)valeraldehyde Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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