[5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[4-(4-hydroxyphenyl)-2-(trifluoromethyl)phenyl]phenyl] ester Formula: C27H21F3O5S MolecularWeight: 514.51285

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=CC(=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)O)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)OC1=C(C=CC(=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)O)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C27H21F3O5S/c1-36(32,33)35-26-16-21(10-14-25(26)34-17-18-5-3-2-4-6-18)23-13-9-20(15-24(23)27(28,29)30)19-7-11-22(31)12-8-19/h2-16,31H,17H2,1H3