[7-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] benzoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [7-methyl-8-(8-oxidanyl-1,5-diazonan-7-yl)-1,5-diazonan-7-yl] benzoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [8-(8-hydroxy-1,5-diazonan-7-yl)-7-methyl-1,5-diazonan-7-yl] benzoate; 2,2,2-trifluoroacetic acid CAS Name: benzoic acid [8-(8-hydroxy-1,5-diazonan-7-yl)-7-methyl-1,5-diazonan-7-yl] ester; 2,2,2-trifluoroacetic acid IUPAC Name: [8-(8-hydroxy-1,5-diazonan-7-yl)-7-methyl-1,5-diazonan-7-yl] benzoate; 2,2,2-trifluoroacetic acid Traditional Name: benzoic acid [8-(8-hydroxy-1,5-diazonan-7-yl)-7-methyl-1,5-diazonan-7-yl] ester; 2,2,2-trifluoroacetic acid Formula: C26H38F6N4O7 MolecularWeight: 632.592939

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNCCCNCC1C2CNCCCNCC2O)OC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1(CNCCCNCC1C2CNCCCNCC2O)OC(=O)C3=CC=CC=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H36N4O3.2C2HF3O2/c1-22(29-21(28)17-7-3-2-4-8-17)16-26-12-6-10-24-14-19(22)18-13-23-9-5-11-25-15-20(18)27;2*3-2(4,5)1(6)7/h2-4,7-8,18-20,23-27H,5-6,9-16H2,1H3;2*(H,6,7)