3-[3,5-bis(bromanyl)-4-(2-ethyl-4-oxidanyl-5-phenyl-3-propan-2-yl-phenoxy)phenyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[3,5-bis(bromanyl)-4-(2-ethyl-4-oxidanyl-5-phenyl-3-propan-2-yl-phenoxy)phenyl]-2-oxidanyl-propanoic acid Openeye Name: 3-[3,5-dibromo-4-(2-ethyl-4-hydroxy-3-isopropyl-5-phenyl-phenoxy)phenyl]-2-hydroxy-propanoic acid CAS Name: 3-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-phenyl-3-propan-2-ylphenoxy)phenyl]-2-hydroxypropanoic acid IUPAC Name: 3-[3,5-dibromo-4-(2-ethyl-4-hydroxy-5-phenyl-3-propan-2-ylphenoxy)phenyl]-2-hydroxypropanoic acid Traditional Name: 3-[3,5-dibromo-4-(2-ethyl-4-hydroxy-3-isopropyl-5-phenyl-phenoxy)phenyl]-2-hydroxy-propionic acid Formula: C26H26Br2O5 MolecularWeight: 578.28964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1C(C)C)O)C2=CC=CC=C2)OC3=C(C=C(C=C3Br)CC(C(=O)O)O)Br

Isomeric SMILES

CCC1=C(C=C(C(=C1C(C)C)O)C2=CC=CC=C2)OC3=C(C=C(C=C3Br)CC(C(=O)O)O)Br

InChI

InChI=1S/C26H26Br2O5/c1-4-17-22(13-18(16-8-6-5-7-9-16)24(30)23(17)14(2)3)33-25-19(27)10-15(11-20(25)28)12-21(29)26(31)32/h5-11,13-14,21,29-30H,4,12H2,1-3H3,(H,31,32)