4-nitro-3-[4-(trifluoromethyl)phenyl]heptanedioic acid

Systemtic Name: 4-nitro-3-[4-(trifluoromethyl)phenyl]heptanedioic acid Openeye Name: 4-nitro-3-[4-(trifluoromethyl)phenyl]heptanedioic acid CAS Name: 4-nitro-3-[4-(trifluoromethyl)phenyl]heptanedioic acid IUPAC Name: 4-nitro-3-[4-(trifluoromethyl)phenyl]heptanedioic acid Traditional Name: 4-nitro-3-[4-(trifluoromethyl)phenyl]pimelic acid Formula: C14H14F3NO6 MolecularWeight: 349.25927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO6/c15-14(16,17)9-3-1-8(2-4-9)10(7-13(21)22)11(18(23)24)5-6-12(19)20/h1-4,10-11H,5-7H2,(H,19,20)(H,21,22)