6,6,7,7,7-pentakis(fluoranyl)-2-[6-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-6-oxidanylidene-5-phenoxy-hexoxy]carbonyl-heptanoic acid

Systemtic Name: 6,6,7,7,7-pentakis(fluoranyl)-2-[6-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-6-oxidanylidene-5-phenoxy-hexoxy]carbonyl-heptanoic acid Openeye Name: 6,6,7,7,7-pentafluoro-2-[6-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]-6-oxo-5-phenoxy-hexoxy]carbonyl-heptanoic acid CAS Name: 6,6,7,7,7-pentafluoro-2-[[6-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexoxy]-oxomethyl]heptanoic acid IUPAC Name: 6,6,7,7,7-pentafluoro-2-[6-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexoxy]carbonylheptanoic acid Traditional Name: 6,6,7,7,7-pentafluoro-2-[6-keto-6-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]-5-phenoxy-hexoxy]carbonyl-enanthic acid Formula: C36H35F5O8S MolecularWeight: 722.715316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C(CCCCOC(=O)C(CCCC(C(F)(F)F)(F)F)C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C(CCCCOC(=O)C(CCCC(C(F)(F)F)(F)F)C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C36H35F5O8S/c1-46-23-15-13-22(14-16-23)32-30(26-18-17-25(47-2)21-29(26)50-32)31(42)28(49-24-9-4-3-5-10-24)12-6-7-20-48-34(45)27(33(43)44)11-8-19-35(37,38)36(39,40)41/h3-5,9-10,13-18,21,27-28H,6-8,11-12,19-20H2,1-2H3,(H,43,44)