2-[3-bromanyl-4-[3-[2-bromanyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propyl]phenyl]propanoic acid

Systemtic Name: 2-[3-bromanyl-4-[3-[2-bromanyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]propyl]phenyl]propanoic acid Openeye Name: 2-[3-bromo-4-[3-[2-bromo-4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]propyl]phenyl]propanoic acid CAS Name: 2-[3-bromo-4-[3-[2-bromo-4-(1-hydroxy-1-oxopropan-2-yl)phenyl]propyl]phenyl]propanoic acid IUPAC Name: 2-[3-bromo-4-[3-[2-bromo-4-(1-hydroxy-1-oxopropan-2-yl)phenyl]propyl]phenyl]propanoic acid Traditional Name: 2-[3-bromo-4-[3-[2-bromo-4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]propyl]phenyl]propionic acid Formula: C21H22Br2O4 MolecularWeight: 498.20498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)CCCC2=C(C=C(C=C2)C(C)C(=O)O)Br)Br)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)CCCC2=C(C=C(C=C2)C(C)C(=O)O)Br)Br)C(=O)O

InChI

InChI=1S/C21H22Br2O4/c1-12(20(24)25)16-8-6-14(18(22)10-16)4-3-5-15-7-9-17(11-19(15)23)13(2)21(26)27/h6-13H,3-5H2,1-2H3,(H,24,25)(H,26,27)