2-azanyl-1-phenyl-octane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-azanyl-1-phenyl-octane-3,4-diol; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-amino-1-phenyl-octane-3,4-diol; 2,2,2-trifluoroacetic acid CAS Name: 2-amino-1-phenyloctane-3,4-diol; 2,2,2-trifluoroacetic acid IUPAC Name: 2-amino-1-phenyloctane-3,4-diol; 2,2,2-trifluoroacetic acid Traditional Name: 2-amino-1-phenyl-octane-3,4-diol; 2,2,2-trifluoroacetic acid Formula: C16H24F3NO4 MolecularWeight: 351.36127

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(CC1=CC=CC=C1)N)O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCCCC(C(C(CC1=CC=CC=C1)N)O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H23NO2.C2HF3O2/c1-2-3-9-13(16)14(17)12(15)10-11-7-5-4-6-8-11;3-2(4,5)1(6)7/h4-8,12-14,16-17H,2-3,9-10,15H2,1H3;(H,6,7)