2-[4-ethanoyl-3-[3-(4-ethanoyl-6-iodanyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-ethanoyl-3-[3-(4-ethanoyl-6-iodanyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-6-iodo-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]acetic acid CAS Name: 2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-6-iodo-2-propylphenoxy)propoxy]-2-propylphenoxy]acetic acid IUPAC Name: 2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-6-iodo-2-propylphenoxy)propoxy]-2-propylphenoxy]acetic acid Traditional Name: 2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-6-iodo-2-propyl-phenoxy)propoxy]-2-propyl-phenoxy]acetic acid Formula: C27H33IO8 MolecularWeight: 612.45059

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCOC2=C(C=C(C(=C2CCC)O)C(=O)C)I)C(=O)C)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCOC2=C(C=C(C(=C2CCC)O)C(=O)C)I)C(=O)C)OCC(=O)O

InChI

InChI=1S/C27H33IO8/c1-5-8-19-23(36-15-24(31)32)11-10-18(16(3)29)26(19)34-12-7-13-35-27-20(9-6-2)25(33)21(17(4)30)14-22(27)28/h10-11,14,33H,5-9,12-13,15H2,1-4H3,(H,31,32)