2-[3-chloranyl-2-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-chloro-2-[(2,5-dimethylphenyl)methylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-2-[(2,5-dimethylphenyl)methylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-chloro-2-[(2,5-dimethylbenzyl)thio]phenyl]acetic acid Formula: C17H17ClO2S MolecularWeight: 320.83368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=C2Cl)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=C2Cl)CC(=O)O

InChI

InChI=1S/C17H17ClO2S/c1-11-6-7-12(2)14(8-11)10-21-17-13(9-16(19)20)4-3-5-15(17)18/h3-8H,9-10H2,1-2H3,(H,19,20)