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

Systemtic Name: 4-[2-(carboxymethylsulfanylmethyl)-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-(carboxymethylsulfanylmethyl)phenyl]butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-[(carboxymethylthio)methyl]phenyl]butanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-(carboxymethylsulfanylmethyl)phenyl]butanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-[(carboxymethylthio)methyl]phenyl]butyric acid Formula: C27H34O7S2 MolecularWeight: 534.68466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O7S2/c1-3-6-23-24(12-11-22(18(2)28)27(23)33)34-13-5-14-36-21-10-9-19(7-4-8-25(29)30)20(15-21)16-35-17-26(31)32/h9-12,15,33H,3-8,13-14,16-17H2,1-2H3,(H,29,30)(H,31,32)