2-(2-chloranylphenoxy)-4-[2-(2-chloranylphenoxy)-1-oxidanyl-1-oxidanylidene-octan-4-yl]oxy-octanoic acid

Systemtic Name: 2-(2-chloranylphenoxy)-4-[2-(2-chloranylphenoxy)-1-oxidanyl-1-oxidanylidene-octan-4-yl]oxy-octanoic acid Openeye Name: 2-(2-chlorophenoxy)-4-[1-[2-(2-chlorophenoxy)-3-hydroxy-3-oxo-propyl]pentoxy]octanoic acid CAS Name: 2-(2-chlorophenoxy)-4-[2-(2-chlorophenoxy)-1-hydroxy-1-oxooctan-4-yl]oxyoctanoic acid IUPAC Name: 2-(2-chlorophenoxy)-4-[2-(2-chlorophenoxy)-1-hydroxy-1-oxooctan-4-yl]oxyoctanoic acid Traditional Name: 2-(2-chlorophenoxy)-4-[1-[2-(2-chlorophenoxy)-3-hydroxy-3-keto-propyl]pentoxy]caprylic acid Formula: C28H36Cl2O7 MolecularWeight: 555.48724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(=O)O)OC1=CC=CC=C1Cl)OC(CCCC)CC(C(=O)O)OC2=CC=CC=C2Cl

Isomeric SMILES

CCCCC(CC(C(=O)O)OC1=CC=CC=C1Cl)OC(CCCC)CC(C(=O)O)OC2=CC=CC=C2Cl

InChI

InChI=1S/C28H36Cl2O7/c1-3-5-11-19(17-25(27(31)32)36-23-15-9-7-13-21(23)29)35-20(12-6-4-2)18-26(28(33)34)37-24-16-10-8-14-22(24)30/h7-10,13-16,19-20,25-26H,3-6,11-12,17-18H2,1-2H3,(H,31,32)(H,33,34)