2-[3-chloranyl-4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]phenyl]propanoic acid Openeye Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]-3-chloro-phenyl]propanoic acid CAS Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]-3-chlorophenyl]propanoic acid IUPAC Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]-3-chlorophenyl]propanoic acid Traditional Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]-3-chloro-phenyl]propionic acid Formula: C24H29ClO5S MolecularWeight: 465.00206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=C(C=C(C=C2)C(C)C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=C(C=C(C=C2)C(C)C(=O)O)Cl

InChI

InChI=1S/C24H29ClO5S/c1-4-7-19-21(10-9-18(16(3)26)23(19)27)30-12-5-6-13-31-22-11-8-17(14-20(22)25)15(2)24(28)29/h8-11,14-15,27H,4-7,12-13H2,1-3H3,(H,28,29)