2,2,2-tris(fluoranyl)ethanoate; 2-[4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyphenyl]ethylazanium

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoate; 2-[4-[3,4,5-tris(oxidanyl)phenyl]carbonyloxyphenyl]ethylazanium Openeye Name: 2,2,2-trifluoroacetate; 2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethylammonium CAS Name: 2-[4-[oxo-(3,4,5-trihydroxyphenyl)methoxy]phenyl]ethylammonium; 2,2,2-trifluoroacetate IUPAC Name: 2,2,2-trifluoroacetate; 2-[4-(3,4,5-trihydroxybenzoyl)oxyphenyl]ethylazanium Traditional Name: 2-(4-galloyloxyphenyl)ethylammonium; 2,2,2-trifluoroacetate Formula: C17H16F3NO7 MolecularWeight: 403.30665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH3+])OC(=O)C2=CC(=C(C(=C2)O)O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC[NH3+])OC(=O)C2=CC(=C(C(=C2)O)O)O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C15H15NO5.C2HF3O2/c16-6-5-9-1-3-11(4-2-9)21-15(20)10-7-12(17)14(19)13(18)8-10;3-2(4,5)1(6)7/h1-4,7-8,17-19H,5-6,16H2;(H,6,7)