2-(tert-butylsulfanylmethyl)-3-phenyl-propanal

Systemtic Name: 2-(tert-butylsulfanylmethyl)-3-phenyl-propanal Openeye Name: 2-benzyl-3-tert-butylsulfanyl-propanal CAS Name: 2-[(tert-butylthio)methyl]-3-phenylpropanal IUPAC Name: 2-benzyl-3-tert-butylsulfanylpropanal Traditional Name: 2-benzyl-3-(tert-butylthio)propionaldehyde Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20OS/c1-14(2,3)16-11-13(10-15)9-12-7-5-4-6-8-12/h4-8,10,13H,9,11H2,1-3H3