3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanal

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanal Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanal CAS Name: 3-[(4-methoxyphenyl)methylthio]-3-methylbutanal IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanal Traditional Name: 3-methyl-3-(p-anisylthio)butyraldehyde Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(CC=O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H18O2S/c1-13(2,8-9-14)16-10-11-4-6-12(15-3)7-5-11/h4-7,9H,8,10H2,1-3H3