2-[[2-chloranyl-6-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-2-(2-methylpropyl)propanedioic acid

Systemtic Name: 2-[[2-chloranyl-6-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-2-(2-methylpropyl)propanedioic acid Openeye Name: 2-[[2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-2-isobutyl-propanedioic acid CAS Name: 2-[[2-chloro-6-[(4-methoxyphenyl)methylthio]phenyl]methyl]-2-(2-methylpropyl)propanedioic acid IUPAC Name: 2-[[2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]phenyl]methyl]-2-(2-methylpropyl)propanedioic acid Traditional Name: 2-[2-chloro-6-(p-anisylthio)benzyl]-2-isobutyl-malonic acid Formula: C22H25ClO5S MolecularWeight: 436.9489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=C(C=CC=C1Cl)SCC2=CC=C(C=C2)OC)(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(CC1=C(C=CC=C1Cl)SCC2=CC=C(C=C2)OC)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H25ClO5S/c1-14(2)11-22(20(24)25,21(26)27)12-17-18(23)5-4-6-19(17)29-13-15-7-9-16(28-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,24,25)(H,26,27)