2-(4-butylsulfanyl-3-methyl-phenyl)-2-oxidanylidene-ethanal

Systemtic Name: 2-(4-butylsulfanyl-3-methyl-phenyl)-2-oxidanylidene-ethanal Openeye Name: 2-(4-butylsulfanyl-3-methyl-phenyl)-2-oxo-acetaldehyde CAS Name: 2-[4-(butylthio)-3-methylphenyl]-2-oxoacetaldehyde IUPAC Name: 2-(4-butylsulfanyl-3-methylphenyl)-2-oxoacetaldehyde Traditional Name: 2-[4-(butylthio)-3-methyl-phenyl]-2-keto-acetaldehyde Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)C(=O)C=O)C

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)C(=O)C=O)C

InChI

InChI=1S/C13H16O2S/c1-3-4-7-16-13-6-5-11(8-10(13)2)12(15)9-14/h5-6,8-9H,3-4,7H2,1-2H3