3-hexyl-5-methylsulfanyl-benzoyl chloride

Systemtic Name: 3-hexyl-5-methylsulfanyl-benzoyl chloride Openeye Name: 3-hexyl-5-methylsulfanyl-benzoyl chloride CAS Name: 3-hexyl-5-(methylthio)benzoyl chloride IUPAC Name: 3-hexyl-5-methylsulfanylbenzoyl chloride Traditional Name: 3-hexyl-5-(methylthio)benzoyl chloride Formula: C14H19ClOS MolecularWeight: 270.81806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC(=C1)C(=O)Cl)SC

Isomeric SMILES

CCCCCCC1=CC(=CC(=C1)C(=O)Cl)SC

InChI

InChI=1S/C14H19ClOS/c1-3-4-5-6-7-11-8-12(14(15)16)10-13(9-11)17-2/h8-10H,3-7H2,1-2H3