3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanal

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanal Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanal CAS Name: 3-[(4-methoxyphenyl)methylthio]-2,2-dimethylpropanal IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethylpropanal Traditional Name: 2,2-dimethyl-3-(p-anisylthio)propionaldehyde Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC1=CC=C(C=C1)OC)C=O

Isomeric SMILES

CC(C)(CSCC1=CC=C(C=C1)OC)C=O

InChI

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