2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazole; scandium; tris(fluoranyl)methanesulfonic acid; hydrate

Systemtic Name: 2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazole; scandium; tris(fluoranyl)methanesulfonic acid; hydrate Openeye Name: 2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazole; scandium; trifluoromethanesulfonic acid; hydrate CAS Name: 2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazole; scandium; trifluoromethanesulfonic acid; hydrate IUPAC Name: 2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d][1,3]oxazole; scandium; trifluoromethanesulfonic acid; hydrate Traditional Name: 2-[2-(4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-id-6-yl]-4,4a,5,6,7,8,8a,8b-octahydro-3aH-indeno[1,2-d]oxazole; scandium; triflic acid; hydrate Formula: C28H39F9N3O12S3Sc- MolecularWeight: 921.758699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC3C2N=C(O3)C4CC=CC([N-]4)C5=NC6C7CCCCC7CC6O5.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O.[Sc]

Isomeric SMILES

C1CCC2C(C1)CC3C2N=C(O3)C4CC=CC([N-]4)C5=NC6C7CCCCC7CC6O5.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O.O.[Sc]

InChI

InChI=1S/C25H34N3O2.3CHF3O3S.H2O.Sc/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25;3*2-1(3,4)8(5,6)7;;/h5,10,14-23H,1-4,6-9,11-13H2;3*(H,5,6,7);1H2;/q-1;;;;;