2-[6-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-6-oxidanylidene-5-phenoxy-hexyl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]propanedioic acid

Systemtic Name: 2-[6-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-6-oxidanylidene-5-phenoxy-hexyl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]propanedioic acid Openeye Name: 2-[6-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-6-oxo-5-phenoxy-hexyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioic acid CAS Name: 2-[6-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioic acid IUPAC Name: 2-[6-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxo-5-phenoxyhexyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioic acid Traditional Name: 2-[6-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-6-keto-5-phenoxy-hexyl]-2-(4,4,5,5,5-pentafluoropentyl)malonic acid Formula: C34H31F5O8S MolecularWeight: 694.662156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCCCC(CCCC(C(F)(F)F)(F)F)(C(=O)O)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(CCCCC(CCCC(C(F)(F)F)(F)F)(C(=O)O)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)18-6-17-32(30(43)44,31(45)46)16-5-4-9-25(47-23-7-2-1-3-8-23)28(42)27-24-15-14-22(41)19-26(24)48-29(27)20-10-12-21(40)13-11-20/h1-3,7-8,10-15,19,25,40-41H,4-6,9,16-18H2,(H,43,44)(H,45,46)