1-deuteriohexyl bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl) phosphate

Systemtic Name: 1-deuteriohexyl bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl) phosphate Openeye Name: 1-deuteriohexyl bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl] phosphate CAS Name: phosphoric acid 1-deuteriohexyl bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl) ester IUPAC Name: 1-deuteriohexyl bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl) phosphate Traditional Name: phosphoric acid 1-deuteriohexyl bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl] ester Formula: C12H27O4P MolecularWeight: 281.406568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(OC(C)C)OC(C)C

Isomeric SMILES

[2H]C(CCCCC)OP(=O)(OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C12H27O4P/c1-6-7-8-9-10-14-17(13,15-11(2)3)16-12(4)5/h11-12H,6-10H2,1-5H3/i2D3,3D3,4D3,5D3,10D,11D,12D