4-[3-(2-carboxyethylsulfanyl)-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-methyl-phenyl]butanoic acid

Systemtic Name: 4-[3-(2-carboxyethylsulfanyl)-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-2-methyl-phenyl]butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-(2-carboxyethylsulfanyl)-2-methyl-phenyl]butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-(2-carboxyethylthio)-2-methylphenyl]butanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-(2-carboxyethylsulfanyl)-2-methylphenyl]butanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-(2-carboxyethylthio)-2-methyl-phenyl]butyric acid Formula: C28H36O7S2 MolecularWeight: 548.71124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C(=C(C=C2)CCCC(=O)O)C)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=C(C(=C(C=C2)CCCC(=O)O)C)SCCC(=O)O

InChI

InChI=1S/C28H36O7S2/c1-4-7-22-23(12-11-21(19(3)29)27(22)34)35-15-6-16-36-24-13-10-20(8-5-9-25(30)31)18(2)28(24)37-17-14-26(32)33/h10-13,34H,4-9,14-17H2,1-3H3,(H,30,31)(H,32,33)