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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2O3S/c1-4-7-13(2,12(16)17)19-9-6-5-8(18-3)10(14)11(9)15/h5-6H,4,7H2,1-3H3,(H,16,17)