2-[2-bromanyl-4-[3-bromanyl-4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxy-phenoxy]phenoxy]octanoic acid

Systemtic Name: 2-[2-bromanyl-4-[3-bromanyl-4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxy-phenoxy]phenoxy]octanoic acid Openeye Name: 2-[2-bromo-4-[3-bromo-4-(1-carboxyheptoxy)phenoxy]phenoxy]octanoic acid CAS Name: 2-[2-bromo-4-[3-bromo-4-(1-hydroxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoic acid IUPAC Name: 2-[2-bromo-4-[3-bromo-4-(1-hydroxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoic acid Traditional Name: 2-[2-bromo-4-[3-bromo-4-(1-carboxyheptoxy)phenoxy]phenoxy]caprylic acid Formula: C28H36Br2O7 MolecularWeight: 644.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=C(C=C(C=C1)OC2=CC(=C(C=C2)OC(CCCCCC)C(=O)O)Br)Br

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=C(C=C(C=C1)OC2=CC(=C(C=C2)OC(CCCCCC)C(=O)O)Br)Br

InChI

InChI=1S/C28H36Br2O7/c1-3-5-7-9-11-25(27(31)32)36-23-15-13-19(17-21(23)29)35-20-14-16-24(22(30)18-20)37-26(28(33)34)12-10-8-6-4-2/h13-18,25-26H,3-12H2,1-2H3,(H,31,32)(H,33,34)