2-[2,5-bis(chloranyl)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanyloctanoic acid Openeye Name: 2-(2,5-dichlorophenyl)sulfanyloctanoic acid CAS Name: 2-[(2,5-dichlorophenyl)thio]octanoic acid IUPAC Name: 2-(2,5-dichlorophenyl)sulfanyloctanoic acid Traditional Name: 2-[(2,5-dichlorophenyl)thio]caprylic acid Formula: C14H18Cl2O2S MolecularWeight: 321.26252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2O2S/c1-2-3-4-5-6-12(14(17)18)19-13-9-10(15)7-8-11(13)16/h7-9,12H,2-6H2,1H3,(H,17,18)