2-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfanyl-4-methyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2O3S/c1-7(2)6-10(13(16)17)19-9-5-4-8(18-3)11(14)12(9)15/h4-5,7,10H,6H2,1-3H3,(H,16,17)