2-[3,5-bis(bromanyl)-4-(2-hexanoyl-4-methoxy-5-propan-2-yl-phenoxy)phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(2-hexanoyl-4-methoxy-5-propan-2-yl-phenoxy)phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(2-hexanoyl-5-isopropyl-4-methoxy-phenoxy)phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-[4-methoxy-2-(1-oxohexyl)-5-propan-2-ylphenoxy]phenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(2-hexanoyl-4-methoxy-5-propan-2-ylphenoxy)phenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-(2-caproyl-5-isopropyl-4-methoxy-phenoxy)phenyl]acetic acid Formula: C24H28Br2O5 MolecularWeight: 556.28412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)CC(=O)O)Br)C(C)C)OC

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)CC(=O)O)Br)C(C)C)OC

InChI

InChI=1S/C24H28Br2O5/c1-5-6-7-8-20(27)17-13-21(30-4)16(14(2)3)12-22(17)31-24-18(25)9-15(10-19(24)26)11-23(28)29/h9-10,12-14H,5-8,11H2,1-4H3,(H,28,29)