2-[3-chloranyl-4-[3-(3-oxidanyl-4-propanoyl-2-prop-2-enyl-phenoxy)propylsulfanyl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(3-oxidanyl-4-propanoyl-2-prop-2-enyl-phenoxy)propylsulfanyl]phenyl]propanoic acid Openeye Name: 2-[4-[3-(2-allyl-3-hydroxy-4-propanoyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxopropyl)-2-prop-2-enylphenoxy]propylthio]phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-[3-(3-hydroxy-4-propanoyl-2-prop-2-enylphenoxy)propylsulfanyl]phenyl]propanoic acid Traditional Name: 2-[4-[3-(2-allyl-3-hydroxy-4-propionyl-phenoxy)propylthio]-3-chloro-phenyl]propionic acid Formula: C24H27ClO5S MolecularWeight: 462.98618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClO5S/c1-4-7-18-21(10-9-17(23(18)27)20(26)5-2)30-12-6-13-31-22-11-8-16(14-19(22)25)15(3)24(28)29/h4,8-11,14-15,27H,1,5-7,12-13H2,2-3H3,(H,28,29)