4-[6-ethanoyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-2-propyl-phenoxy]butanoic acid

Systemtic Name: 4-[6-ethanoyl-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-2-propyl-phenoxy]butanoic acid Openeye Name: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-2-propyl-phenoxy]butanoic acid CAS Name: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-2-propylphenoxy]butanoic acid IUPAC Name: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-2-propylphenoxy]butanoic acid Traditional Name: 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-2-propyl-phenoxy]butyric acid Formula: C29H38O9S MolecularWeight: 562.67162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38O9S/c1-5-9-23-25(14-12-21(19(3)30)28(23)34)37-17-8-18-39(35,36)26-15-13-22(20(4)31)29(24(26)10-6-2)38-16-7-11-27(32)33/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)