(E)-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E)-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E)-3,5-dihydroxy-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]-2-furyl]hept-6-enoic acid CAS Name: (E)-3,5-dihydroxy-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]-2-furanyl]-6-heptenoic acid IUPAC Name: (E)-3,5-dihydroxy-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]hept-6-enoic acid Traditional Name: (E)-3,5-dihydroxy-7-[5-[2-nitro-4-(trifluoromethyl)phenyl]-2-furyl]hept-6-enoic acid Formula: C18H16F3NO7 MolecularWeight: 415.31735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC=C(O2)C=CC(CC(CC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C2=CC=C(O2)/C=C/C(CC(CC(=O)O)O)O

InChI

InChI=1S/C18H16F3NO7/c19-18(20,21)10-1-5-14(15(7-10)22(27)28)16-6-4-13(29-16)3-2-11(23)8-12(24)9-17(25)26/h1-7,11-12,23-24H,8-9H2,(H,25,26)/b3-2+