2,2-dimethyl-4-(4-methylphenyl)sulfanyl-3-oxidanyl-butanal

Systemtic Name: 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-3-oxidanyl-butanal Openeye Name: 3-hydroxy-2,2-dimethyl-4-(p-tolylsulfanyl)butanal CAS Name: 3-hydroxy-2,2-dimethyl-4-[(4-methylphenyl)thio]butanal IUPAC Name: 3-hydroxy-2,2-dimethyl-4-(4-methylphenyl)sulfanylbutanal Traditional Name: 3-hydroxy-2,2-dimethyl-4-(p-tolylthio)butyraldehyde Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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