4-heptoxy-3-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-heptoxy-3-[3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]benzoic acid Openeye Name: 4-heptoxy-3-(3,3,3-trifluoro-2-oxo-propyl)benzoic acid CAS Name: 4-heptoxy-3-(3,3,3-trifluoro-2-oxopropyl)benzoic acid IUPAC Name: 4-heptoxy-3-(3,3,3-trifluoro-2-oxopropyl)benzoic acid Traditional Name: 4-heptoxy-3-(3,3,3-trifluoro-2-keto-propyl)benzoic acid Formula: C17H21F3O4 MolecularWeight: 346.34145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)CC(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)O)CC(=O)C(F)(F)F

InChI

InChI=1S/C17H21F3O4/c1-2-3-4-5-6-9-24-14-8-7-12(16(22)23)10-13(14)11-15(21)17(18,19)20/h7-8,10H,2-6,9,11H2,1H3,(H,22,23)