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

Systemtic Name: 6,6,7,7,7-pentakis(fluoranyl)-2-[5-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-5-oxidanylidene-4-phenoxy-pentyl]heptanoic acid Openeye Name: 6,6,7,7,7-pentafluoro-2-[5-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-5-oxo-4-phenoxy-pentyl]heptanoic acid CAS Name: 6,6,7,7,7-pentafluoro-2-[5-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-5-oxo-4-phenoxypentyl]heptanoic acid IUPAC Name: 6,6,7,7,7-pentafluoro-2-[5-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-5-oxo-4-phenoxypentyl]heptanoic acid Traditional Name: 6,6,7,7,7-pentafluoro-2-[5-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-5-keto-4-phenoxy-pentyl]enanthic acid Formula: C32H29F5O6S MolecularWeight: 636.626076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCCC(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(CCCC(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/C32H29F5O6S/c33-31(34,32(35,36)37)17-5-7-20(30(41)42)6-4-10-25(43-23-8-2-1-3-9-23)28(40)27-24-16-15-22(39)18-26(24)44-29(27)19-11-13-21(38)14-12-19/h1-3,8-9,11-16,18,20,25,38-39H,4-7,10,17H2,(H,41,42)