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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(CCC1=C(C(=CC=C1)Cl)CCCCI)C(=O)O

Isomeric SMILES

CC(=O)SC(C)(CCC1=C(C(=CC=C1)Cl)CCCCI)C(=O)O

InChI

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