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

Systemtic Name: 6,6,7,7,7-pentakis(fluoranyl)-2-[3-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-3-oxidanylidene-2-phenoxy-propyl]heptanoic acid Openeye Name: 6,6,7,7,7-pentafluoro-2-[3-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-3-oxo-2-phenoxy-propyl]heptanoic acid CAS Name: 6,6,7,7,7-pentafluoro-2-[3-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-3-oxo-2-phenoxypropyl]heptanoic acid IUPAC Name: 6,6,7,7,7-pentafluoro-2-[3-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-3-oxo-2-phenoxypropyl]heptanoic acid Traditional Name: 6,6,7,7,7-pentafluoro-2-[3-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]-3-keto-2-phenoxy-propyl]enanthic acid Formula: C30H25F5O6S MolecularWeight: 608.572916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CC(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(CC(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/C30H25F5O6S/c31-29(32,30(33,34)35)14-4-5-18(28(39)40)15-23(41-21-6-2-1-3-7-21)26(38)25-22-13-12-20(37)16-24(22)42-27(25)17-8-10-19(36)11-9-17/h1-3,6-13,16,18,23,36-37H,4-5,14-15H2,(H,39,40)