2-[5-[2,4-bis(chloranyl)phenoxy]-2-cyano-phenyl]ethanethioic S-acid

Systemtic Name: 2-[5-[2,4-bis(chloranyl)phenoxy]-2-cyano-phenyl]ethanethioic S-acid Openeye Name: 2-[2-cyano-5-(2,4-dichlorophenoxy)phenyl]ethanethioic S-acid CAS Name: 2-[2-cyano-5-(2,4-dichlorophenoxy)phenyl]ethanethioic S-acid IUPAC Name: 2-[2-cyano-5-(2,4-dichlorophenoxy)phenyl]ethanethioic S-acid Traditional Name: 2-[2-cyano-5-(2,4-dichlorophenoxy)phenyl]thioacetic acid Formula: C15H9Cl2NO2S MolecularWeight: 338.20846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)CC(=O)S)C#N

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)CC(=O)S)C#N

InChI

InChI=1S/C15H9Cl2NO2S/c16-11-2-4-14(13(17)7-11)20-12-3-1-9(8-18)10(5-12)6-15(19)21/h1-5,7H,6H2,(H,19,21)