2-methyl-3-phenyl-3-(phenylmethylsulfanyl)propanal

Systemtic Name: 2-methyl-3-phenyl-3-(phenylmethylsulfanyl)propanal Openeye Name: 3-benzylsulfanyl-2-methyl-3-phenyl-propanal CAS Name: 2-methyl-3-phenyl-3-(phenylmethylthio)propanal IUPAC Name: 3-benzylsulfanyl-2-methyl-3-phenylpropanal Traditional Name: 3-(benzylthio)-2-methyl-3-phenyl-propionaldehyde Formula: C17H18OS MolecularWeight: 270.38922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C(C1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C=O)C(C1=CC=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H18OS/c1-14(12-18)17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-12,14,17H,13H2,1H3