3-methyl-3-phenylsulfanyl-butanal

Systemtic Name: 3-methyl-3-phenylsulfanyl-butanal Openeye Name: 3-methyl-3-phenylsulfanyl-butanal CAS Name: 3-methyl-3-(phenylthio)butanal IUPAC Name: 3-methyl-3-phenylsulfanylbutanal Traditional Name: 3-methyl-3-(phenylthio)butyraldehyde Formula: C11H14OS MolecularWeight: 194.29326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14OS/c1-11(2,8-9-12)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3