4-methyl-2-phenylsulfanyl-pentanal

Systemtic Name: 4-methyl-2-phenylsulfanyl-pentanal Openeye Name: 4-methyl-2-phenylsulfanyl-pentanal CAS Name: 4-methyl-2-(phenylthio)pentanal IUPAC Name: 4-methyl-2-phenylsulfanylpentanal Traditional Name: 4-methyl-2-(phenylthio)valeraldehyde Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)SC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C=O)SC1=CC=CC=C1

InChI

InChI=1S/C12H16OS/c1-10(2)8-12(9-13)14-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3