4-[3-chloranyl-2-(4-iodanylbutyl)phenyl]-3-ethanoylsulfanyl-2-methyl-butanoic acid

Systemtic Name: 4-[3-chloranyl-2-(4-iodanylbutyl)phenyl]-3-ethanoylsulfanyl-2-methyl-butanoic acid Openeye Name: 3-acetylsulfanyl-4-[3-chloro-2-(4-iodobutyl)phenyl]-2-methyl-butanoic acid CAS Name: 3-(acetylthio)-4-[3-chloro-2-(4-iodobutyl)phenyl]-2-methylbutanoic acid IUPAC Name: 3-acetylsulfanyl-4-[3-chloro-2-(4-iodobutyl)phenyl]-2-methylbutanoic acid Traditional Name: 3-(acetylthio)-4-[3-chloro-2-(4-iodobutyl)phenyl]-2-methyl-butyric acid Formula: C17H22ClIO3S MolecularWeight: 468.77725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=C(C(=CC=C1)Cl)CCCCI)SC(=O)C)C(=O)O

Isomeric SMILES

CC(C(CC1=C(C(=CC=C1)Cl)CCCCI)SC(=O)C)C(=O)O

InChI

InChI=1S/C17H22ClIO3S/c1-11(17(21)22)16(23-12(2)20)10-13-6-5-8-15(18)14(13)7-3-4-9-19/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3,(H,21,22)