(2S)-2-tert-butylsulfanyl-3-phenyl-propanal

Systemtic Name: (2S)-2-tert-butylsulfanyl-3-phenyl-propanal Openeye Name: (2S)-2-tert-butylsulfanyl-3-phenyl-propanal CAS Name: (2S)-2-(tert-butylthio)-3-phenylpropanal IUPAC Name: (2S)-2-tert-butylsulfanyl-3-phenylpropanal Traditional Name: (2S)-2-(tert-butylthio)-3-phenyl-propionaldehyde Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(CC1=CC=CC=C1)C=O

Isomeric SMILES

CC(C)(C)S[C@@H](CC1=CC=CC=C1)C=O

InChI

InChI=1S/C13H18OS/c1-13(2,3)15-12(10-14)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1