4-(4-bromanylpentoxy)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-1-benzofuran-3-one

Systemtic Name: 4-(4-bromanylpentoxy)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-1-benzofuran-3-one Openeye Name: 4-(4-bromopentoxy)-2-[2,2,2-trideuterio-1-(trideuteriomethyl)ethylidene]benzofuran-3-one CAS Name: 4-(4-bromopentoxy)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-3-benzofuranone IUPAC Name: 4-(4-bromopentoxy)-2-(1,1,1,3,3,3-hexadeuteriopropan-2-ylidene)-1-benzofuran-3-one Traditional Name: 4-(4-bromopentoxy)-2-[2,2,2-trideuterio-1-(trideuteriomethyl)ethylidene]coumaran-3-one Formula: C16H19BrO3 MolecularWeight: 345.261231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC1=CC=CC2=C1C(=O)C(=C(C)C)O2)Br

Isomeric SMILES

[2H]C([2H])([2H])C(=C1C(=O)C2=C(O1)C=CC=C2OCCCC(C)Br)C([2H])([2H])[2H]

InChI

InChI=1S/C16H19BrO3/c1-10(2)16-15(18)14-12(7-4-8-13(14)20-16)19-9-5-6-11(3)17/h4,7-8,11H,5-6,9H2,1-3H3/i1D3,2D3