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

Systemtic Name: 6,6,7,7,7-pentakis(fluoranyl)-2-[6-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-6-oxidanylidene-5-phenoxy-hexoxy]carbonyl-heptanoic acid Openeye Name: 6,6,7,7,7-pentafluoro-2-[6-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-6-oxo-5-phenoxy-hexoxy]carbonyl-heptanoic acid CAS Name: 6,6,7,7,7-pentafluoro-2-[[6-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexoxy]-oxomethyl]heptanoic acid IUPAC Name: 6,6,7,7,7-pentafluoro-2-[6-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexoxy]carbonylheptanoic acid Traditional Name: 6,6,7,7,7-pentafluoro-2-[6-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-6-keto-5-phenoxy-hexoxy]carbonyl-enanthic acid Formula: C34H31F5O8S MolecularWeight: 694.662156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCCCOC(=O)C(CCCC(C(F)(F)F)(F)F)C(=O)O)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCCCOC(=O)C(CCCC(C(F)(F)F)(F)F)C(=O)O)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C34H31F5O8S/c35-33(36,34(37,38)39)17-6-9-25(31(43)44)32(45)46-18-5-4-10-26(47-23-7-2-1-3-8-23)29(42)28-24-16-15-22(41)19-27(24)48-30(28)20-11-13-21(40)14-12-20/h1-3,7-8,11-16,19,25-26,40-41H,4-6,9-10,17-18H2,(H,43,44)