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

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]-3,3-dimethyl-4-oxidanyl-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-hydroxy-3,3-dimethyl-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-hydroxy-3,3-dimethylbutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-hydroxy-3,3-dimethylbutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-hydroxy-3,3-dimethyl-butyric acid Formula: C26H34O8S MolecularWeight: 506.60836

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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)(C)CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H34O8S/c1-5-7-21-22(13-12-20(17(2)27)24(21)30)34-14-6-15-35(32,33)19-10-8-18(9-11-19)25(31)26(3,4)16-23(28)29/h8-13,25,30-31H,5-7,14-16H2,1-4H3,(H,28,29)