4-[3-bromanyl-4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propoxy]phenyl]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 4-[3-bromanyl-4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propoxy]phenyl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 4-[3-bromo-4-[3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propoxy]phenyl]-4-hydroxy-3-methyl-butanoic acid CAS Name: 4-[3-bromo-4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propoxy]phenyl]-4-hydroxy-3-methylbutanoic acid IUPAC Name: 4-[3-bromo-4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propoxy]phenyl]-4-hydroxy-3-methylbutanoic acid Traditional Name: 4-[3-bromo-4-[3-[4-(3-keto-1-methylol-butyl)phenoxy]propoxy]phenyl]-4-hydroxy-3-methyl-butyric acid Formula: C25H31BrO7 MolecularWeight: 523.41344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CC(=O)C)CO)Br)O

Isomeric SMILES

CC(CC(=O)O)C(C1=CC(=C(C=C1)OCCCOC2=CC=C(C=C2)C(CC(=O)C)CO)Br)O

InChI

InChI=1S/C25H31BrO7/c1-16(12-24(29)30)25(31)19-6-9-23(22(26)14-19)33-11-3-10-32-21-7-4-18(5-8-21)20(15-27)13-17(2)28/h4-9,14,16,20,25,27,31H,3,10-13,15H2,1-2H3,(H,29,30)