6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[1,1,1-tris(fluoranyl)octan-2-yloxycarbonyl]naphthalene-2-carboxylic acid Openeye Name: 6-[1-(trifluoromethyl)heptoxycarbonyl]naphthalene-2-carboxylic acid CAS Name: 6-[oxo(1,1,1-trifluorooctan-2-yloxy)methyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-(1,1,1-trifluorooctan-2-yloxycarbonyl)naphthalene-2-carboxylic acid Traditional Name: 6-[1-(trifluoromethyl)heptoxycarbonyl]-2-naphthoic acid Formula: C20H21F3O4 MolecularWeight: 382.37355

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C(F)(F)F)OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(=O)O

InChI

InChI=1S/C20H21F3O4/c1-2-3-4-5-6-17(20(21,22)23)27-19(26)16-10-8-13-11-15(18(24)25)9-7-14(13)12-16/h7-12,17H,2-6H2,1H3,(H,24,25)