2-chloranyl-5-hexylsulfanyl-benzoic acid

Systemtic Name: 2-chloranyl-5-hexylsulfanyl-benzoic acid Openeye Name: 2-chloro-5-hexylsulfanyl-benzoic acid CAS Name: 2-chloro-5-(hexylthio)benzoic acid IUPAC Name: 2-chloro-5-hexylsulfanylbenzoic acid Traditional Name: 2-chloro-5-(hexylthio)benzoic acid Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCCSC1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H17ClO2S/c1-2-3-4-5-8-17-10-6-7-12(14)11(9-10)13(15)16/h6-7,9H,2-5,8H2,1H3,(H,15,16)