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

Systemtic Name: 2-[2,3-bis(chloranyl)-4-methoxy-phenyl]sulfanylpentanoic acid Openeye Name: 2-(2,3-dichloro-4-methoxy-phenyl)sulfanylpentanoic acid CAS Name: 2-[(2,3-dichloro-4-methoxyphenyl)thio]pentanoic acid IUPAC Name: 2-(2,3-dichloro-4-methoxyphenyl)sulfanylpentanoic acid Traditional Name: 2-[(2,3-dichloro-4-methoxy-phenyl)thio]valeric acid Formula: C12H14Cl2O3S MolecularWeight: 309.20876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2O3S/c1-3-4-9(12(15)16)18-8-6-5-7(17-2)10(13)11(8)14/h5-6,9H,3-4H2,1-2H3,(H,15,16)