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

Systemtic Name: 4-(2-carboxyethylsulfanyl)-4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-3-methyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-(2-carboxyethylsulfanyl)-3-methyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-(2-carboxyethylthio)-3-methylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-(2-carboxyethylsulfanyl)-3-methylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-(2-carboxyethylthio)-3-methyl-butyric acid Formula: C28H36O9S2 MolecularWeight: 580.71004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(C(C)CC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)C(C(C)CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C28H36O9S2/c1-4-6-23-24(12-11-22(19(3)29)27(23)34)37-14-5-16-39(35,36)21-9-7-20(8-10-21)28(18(2)17-26(32)33)38-15-13-25(30)31/h7-12,18,28,34H,4-6,13-17H2,1-3H3,(H,30,31)(H,32,33)