2-[3-chloranyl-4-[3-(4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-[3-(4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[3-[4-(1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-[3-(4-propanoyl-2-propylphenoxy)propylsulfanyl]phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-[3-(4-propionyl-2-propyl-phenoxy)propylthio]phenyl]propionic acid Formula: C24H29ClO4S MolecularWeight: 449.00266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CC)OCCCSC2=C(C=C(C=C2)C(C)C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CC)OCCCSC2=C(C=C(C=C2)C(C)C(=O)O)Cl

InChI

InChI=1S/C24H29ClO4S/c1-4-7-19-14-18(21(26)5-2)8-10-22(19)29-12-6-13-30-23-11-9-17(15-20(23)25)16(3)24(27)28/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,27,28)