4-[3-carboxy-3-(2-chloranylphenoxy)nonan-5-yl]oxy-2-(2-chloranylphenoxy)-2-ethyl-octanoic acid

Systemtic Name: 4-[3-carboxy-3-(2-chloranylphenoxy)nonan-5-yl]oxy-2-(2-chloranylphenoxy)-2-ethyl-octanoic acid Openeye Name: 4-[1-butyl-3-carboxy-3-(2-chlorophenoxy)pentoxy]-2-(2-chlorophenoxy)-2-ethyl-octanoic acid CAS Name: 4-[3-carboxy-3-(2-chlorophenoxy)nonan-5-yl]oxy-2-(2-chlorophenoxy)-2-ethyloctanoic acid IUPAC Name: 4-[3-carboxy-3-(2-chlorophenoxy)nonan-5-yl]oxy-2-(2-chlorophenoxy)-2-ethyloctanoic acid Traditional Name: 4-[1-butyl-3-carboxy-3-(2-chlorophenoxy)pentoxy]-2-(2-chlorophenoxy)-2-ethyl-caprylic acid Formula: C32H44Cl2O7 MolecularWeight: 611.59356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44Cl2O7/c1-5-9-15-23(21-31(7-3,29(35)36)40-27-19-13-11-17-25(27)33)39-24(16-10-6-2)22-32(8-4,30(37)38)41-28-20-14-12-18-26(28)34/h11-14,17-20,23-24H,5-10,15-16,21-22H2,1-4H3,(H,35,36)(H,37,38)