5-[6-ethoxy-1-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxy-phenoxy]-6-oxidanylidene-hexoxy]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[6-ethoxy-1-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxy-phenoxy]-6-oxidanylidene-hexoxy]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-[5-benzyloxy-2-ethyl-4-(4-fluorophenyl)phenoxy]-6-ethoxy-6-oxo-hexoxy]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[6-ethoxy-1-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]-6-oxohexoxy]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[6-ethoxy-1-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]-6-oxohexoxy]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[1-[5-benzoxy-2-ethyl-4-(4-fluorophenyl)phenoxy]-6-ethoxy-6-keto-hexoxy]-5-keto-3,3-dimethyl-valeric acid Formula: C36H43FO8 MolecularWeight: 622.720223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)OCC3=CC=CC=C3)OC(CCCCC(=O)OCC)OC(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)F)OCC3=CC=CC=C3)OC(CCCCC(=O)OCC)OC(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C36H43FO8/c1-5-26-20-29(27-16-18-28(37)19-17-27)31(43-24-25-12-8-7-9-13-25)21-30(26)44-35(15-11-10-14-33(40)42-6-2)45-34(41)23-36(3,4)22-32(38)39/h7-9,12-13,16-21,35H,5-6,10-11,14-15,22-24H2,1-4H3,(H,38,39)