1-[(E)-octadec-9-enoxy]propylazanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-[(E)-octadec-9-enoxy]propylazanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-[(E)-octadec-9-enoxy]propylammonium; 2,2,2-trifluoroacetate CAS Name: 1-[(E)-octadec-9-enoxy]propylammonium; 2,2,2-trifluoroacetate IUPAC Name: 1-[(E)-octadec-9-enoxy]propylazanium; 2,2,2-trifluoroacetate Traditional Name: 1-[(E)-octadec-9-enoxy]propylammonium; 2,2,2-trifluoroacetate Formula: C23H44F3NO3 MolecularWeight: 439.59557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(CC)[NH3+].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(CC)[NH3+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C21H43NO.C2HF3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;3-2(4,5)1(6)7/h11-12,21H,3-10,13-20,22H2,1-2H3;(H,6,7)/b12-11+;