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

Systemtic Name: 4-[3-chloranyl-2-(4-iodanylbutyl)phenyl]-2-ethanoylsulfanyl-butanoic acid Openeye Name: 2-acetylsulfanyl-4-[3-chloro-2-(4-iodobutyl)phenyl]butanoic acid CAS Name: 2-(acetylthio)-4-[3-chloro-2-(4-iodobutyl)phenyl]butanoic acid IUPAC Name: 2-acetylsulfanyl-4-[3-chloro-2-(4-iodobutyl)phenyl]butanoic acid Traditional Name: 2-(acetylthio)-4-[3-chloro-2-(4-iodobutyl)phenyl]butyric acid Formula: C16H20ClIO3S MolecularWeight: 454.75067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClIO3S/c1-11(19)22-15(16(20)21)9-8-12-5-4-7-14(17)13(12)6-2-3-10-18/h4-5,7,15H,2-3,6,8-10H2,1H3,(H,20,21)