2-[11-oxidanylidene-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid

Systemtic Name: 2-[11-oxidanylidene-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid Openeye Name: 2-[11-oxo-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid CAS Name: 2-[11-oxo-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-[11-oxo-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Traditional Name: 2-[11-keto-8-(trifluoromethyl)-3-[1-[3-(trifluoromethyl)phenyl]propyl]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Formula: C27H20F6O4 MolecularWeight: 522.435719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)C(F)(F)F)C2=C(C=C3C(=C2)OCC4=C(C3=O)C=CC(=C4)C(F)(F)F)CC(=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)C(F)(F)F)C2=C(C=C3C(=C2)OCC4=C(C3=O)C=CC(=C4)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C27H20F6O4/c1-2-19(14-4-3-5-17(8-14)26(28,29)30)21-12-23-22(10-15(21)11-24(34)35)25(36)20-7-6-18(27(31,32)33)9-16(20)13-37-23/h3-10,12,19H,2,11,13H2,1H3,(H,34,35)