2-[11-oxidanylidene-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid

Systemtic Name: 2-[11-oxidanylidene-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]ethanoic acid Openeye Name: 2-[11-oxo-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid CAS Name: 2-[11-oxo-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid IUPAC Name: 2-[11-oxo-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Traditional Name: 2-[11-keto-9-(trifluoromethyl)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid Formula: C17H11F3O4 MolecularWeight: 336.26205

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=C(O1)C=CC(=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C3=C(O1)C=CC(=C3)CC(=O)O

InChI

InChI=1S/C17H11F3O4/c18-17(19,20)11-3-2-10-8-24-14-4-1-9(6-15(21)22)5-13(14)16(23)12(10)7-11/h1-5,7H,6,8H2,(H,21,22)