2-(4-fluoranyl-2-phenylmethoxy-phenyl)-4,6-di(propan-2-yl)benzene-1,3-dicarboxylate

Systemtic Name: 2-(4-fluoranyl-2-phenylmethoxy-phenyl)-4,6-di(propan-2-yl)benzene-1,3-dicarboxylate Openeye Name: 2-(2-benzyloxy-4-fluoro-phenyl)-4,6-diisopropyl-benzene-1,3-dicarboxylate CAS Name: 2-(4-fluoro-2-phenylmethoxyphenyl)-4,6-di(propan-2-yl)benzene-1,3-dicarboxylate IUPAC Name: 2-(4-fluoro-2-phenylmethoxyphenyl)-4,6-di(propan-2-yl)benzene-1,3-dicarboxylate Traditional Name: 2-(2-benzoxy-4-fluoro-phenyl)-4,6-diisopropyl-isophthalate Formula: C27H25FO5-2 MolecularWeight: 448.482803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1C(=O)[O-])C2=C(C=C(C=C2)F)OCC3=CC=CC=C3)C(=O)[O-])C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1C(=O)[O-])C2=C(C=C(C=C2)F)OCC3=CC=CC=C3)C(=O)[O-])C(C)C

InChI

InChI=1S/C27H27FO5/c1-15(2)20-13-21(16(3)4)25(27(31)32)23(24(20)26(29)30)19-11-10-18(28)12-22(19)33-14-17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,29,30)(H,31,32)/p-2