5-butyl-2-methylsulfanyl-benzaldehyde

Systemtic Name: 5-butyl-2-methylsulfanyl-benzaldehyde Openeye Name: 5-butyl-2-methylsulfanyl-benzaldehyde CAS Name: 5-butyl-2-(methylthio)benzaldehyde IUPAC Name: 5-butyl-2-methylsulfanylbenzaldehyde Traditional Name: 5-butyl-2-(methylthio)benzaldehyde Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)SC)C=O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)SC)C=O

InChI

InChI=1S/C12H16OS/c1-3-4-5-10-6-7-12(14-2)11(8-10)9-13/h6-9H,3-5H2,1-2H3