diethyl 2-[5-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]phenoxy]pentyl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]propanedioate

Systemtic Name: diethyl 2-[5-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]carbonyl]phenoxy]pentyl]-2-[4,4,5,5,5-pentakis(fluoranyl)pentyl]propanedioate Openeye Name: diethyl 2-[5-[4-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]phenoxy]pentyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioate CAS Name: 2-[5-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]pentyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[4-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]pentyl]-2-(4,4,5,5,5-pentafluoropentyl)propanedioate Traditional Name: 2-[5-[4-[6-methoxy-2-(4-methoxyphenyl)benzothiophene-3-carbonyl]phenoxy]pentyl]-2-(4,4,5,5,5-pentafluoropentyl)malonic acid diethyl ester Formula: C40H43F5O8S MolecularWeight: 778.821636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)OC)(CCCC(C(F)(F)F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)OC)(CCCC(C(F)(F)F)(F)F)C(=O)OCC

InChI

InChI=1S/C40H43F5O8S/c1-5-51-36(47)38(37(48)52-6-2,22-10-23-39(41,42)40(43,44)45)21-8-7-9-24-53-29-17-11-26(12-18-29)34(46)33-31-20-19-30(50-4)25-32(31)54-35(33)27-13-15-28(49-3)16-14-27/h11-20,25H,5-10,21-24H2,1-4H3