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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2Br)CC(C(=O)O)O)Br)CCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2Br)CC(C(=O)O)O)Br)CCC3=CC=CC=C3)O

InChI

InChI=1S/C26H26Br2O5/c1-15(2)20-14-19(13-18(24(20)30)9-8-16-6-4-3-5-7-16)33-25-21(27)10-17(11-22(25)28)12-23(29)26(31)32/h3-7,10-11,13-15,23,29-30H,8-9,12H2,1-2H3,(H,31,32)