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

Systemtic Name: 2-(2-bromanylphenoxy)-4-[3-(2-bromanylphenoxy)-3-carboxy-nonan-5-yl]oxy-2-ethyl-octanoic acid Openeye Name: 2-(2-bromophenoxy)-4-[3-(2-bromophenoxy)-1-butyl-3-carboxy-pentoxy]-2-ethyl-octanoic acid CAS Name: 2-(2-bromophenoxy)-4-[3-(2-bromophenoxy)-3-carboxynonan-5-yl]oxy-2-ethyloctanoic acid IUPAC Name: 2-(2-bromophenoxy)-4-[3-(2-bromophenoxy)-3-carboxynonan-5-yl]oxy-2-ethyloctanoic acid Traditional Name: 2-(2-bromophenoxy)-4-[3-(2-bromophenoxy)-1-butyl-3-carboxy-pentoxy]-2-ethyl-caprylic acid Formula: C32H44Br2O7 MolecularWeight: 700.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CC)(C(=O)O)OC1=CC=CC=C1Br)OC(CCCC)CC(CC)(C(=O)O)OC2=CC=CC=C2Br

Isomeric SMILES

CCCCC(CC(CC)(C(=O)O)OC1=CC=CC=C1Br)OC(CCCC)CC(CC)(C(=O)O)OC2=CC=CC=C2Br

InChI

InChI=1S/C32H44Br2O7/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)