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

Systemtic Name: 2-[3-chloranyl-4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]-3-chlorophenyl]acetic acid Traditional Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]-3-chloro-phenyl]acetic acid Formula: C23H27ClO5S MolecularWeight: 450.97548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClO5S/c1-3-6-18-20(9-8-17(15(2)25)23(18)28)29-11-4-5-12-30-21-10-7-16(13-19(21)24)14-22(26)27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,27)