2-[3-[4-chloranyl-2-[(phenylmethylsulfanyl)methyl]phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-chloranyl-2-[(phenylmethylsulfanyl)methyl]phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(benzylsulfanylmethyl)-4-chloro-phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[4-chloro-2-[(phenylmethylthio)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(benzylsulfanylmethyl)-4-chlorophenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-[(benzylthio)methyl]-4-chloro-phenoxy]-4-methoxy-phenyl]acetic acid Formula: C23H21ClO4S MolecularWeight: 428.92844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)O)OC2=C(C=C(C=C2)Cl)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)O)OC2=C(C=C(C=C2)Cl)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H21ClO4S/c1-27-21-9-7-17(12-23(25)26)11-22(21)28-20-10-8-19(24)13-18(20)15-29-14-16-5-3-2-4-6-16/h2-11,13H,12,14-15H2,1H3,(H,25,26)