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

Systemtic Name: 2-[3-chloranyl-4-[3-(3-oxidanyl-4-propanoyl-2-prop-2-enyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(2-allyl-3-hydroxy-4-propanoyl-phenoxy)propylsulfanyl]-3-chloro-phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxopropyl)-2-prop-2-enylphenoxy]propylthio]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-(3-hydroxy-4-propanoyl-2-prop-2-enylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(2-allyl-3-hydroxy-4-propionyl-phenoxy)propylthio]-3-chloro-phenyl]acetic acid Formula: C23H25ClO5S MolecularWeight: 448.9596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClO5S/c1-3-6-17-20(9-8-16(23(17)28)19(25)4-2)29-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h3,7-10,13,28H,1,4-6,11-12,14H2,2H3,(H,26,27)