4-[(2S)-2-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2-methyl-phenoxy]-3-phenyl-propoxy]benzoic acid

Systemtic Name: 4-[(2S)-2-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2-methyl-phenoxy]-3-phenyl-propoxy]benzoic acid Openeye Name: 4-[(2S)-2-[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenoxy]-3-phenyl-propoxy]benzoic acid CAS Name: 4-[(2S)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenoxy]-3-phenylpropoxy]benzoic acid IUPAC Name: 4-[(2S)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenoxy]-3-phenylpropoxy]benzoic acid Traditional Name: 4-[(2S)-2-[2-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenoxy]-3-phenyl-propoxy]benzoic acid Formula: C26H22F6O5 MolecularWeight: 528.440299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)OC(CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)O[C@@H](CC2=CC=CC=C2)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H22F6O5/c1-16-13-19(24(35,25(27,28)29)26(30,31)32)9-12-22(16)37-21(14-17-5-3-2-4-6-17)15-36-20-10-7-18(8-11-20)23(33)34/h2-13,21,35H,14-15H2,1H3,(H,33,34)/t21-/m0/s1