2-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfanylhexanoic acid

Systemtic Name: 2-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfanylhexanoic acid Openeye Name: 2-(2,3-dichloro-4-methoxy-phenyl)sulfanylhexanoic acid CAS Name: 2-[(2,3-dichloro-4-methoxyphenyl)thio]hexanoic acid IUPAC Name: 2-(2,3-dichloro-4-methoxyphenyl)sulfanylhexanoic acid Traditional Name: 2-[(2,3-dichloro-4-methoxy-phenyl)thio]hexanoic acid Formula: C13H16Cl2O3S MolecularWeight: 323.23534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=C(C(=C(C=C1)OC)Cl)Cl

Isomeric SMILES

CCCCC(C(=O)O)SC1=C(C(=C(C=C1)OC)Cl)Cl

InChI

InChI=1S/C13H16Cl2O3S/c1-3-4-5-10(13(16)17)19-9-7-6-8(18-2)11(14)12(9)15/h6-7,10H,3-5H2,1-2H3,(H,16,17)