4-(1,3-benzodioxol-5-ylmethyl)-3-[[3-phenylmethoxy-4,5-bis(trideuteriomethoxy)phenyl]methyl]oxolan-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[3-phenylmethoxy-4,5-bis(trideuteriomethoxy)phenyl]methyl]oxolan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[3-benzyloxy-4,5-bis(trideuteriomethoxy)phenyl]methyl]tetrahydrofuran-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[3-phenylmethoxy-4,5-bis(trideuteriomethoxy)phenyl]methyl]-2-oxolanone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-[[3-phenylmethoxy-4,5-bis(trideuteriomethoxy)phenyl]methyl]oxolan-2-one Traditional Name: 3-[3-benzoxy-4,5-bis(trideuteriomethoxy)benzyl]-4-piperonyl-tetrahydrofuran-2-one Formula: C28H28O7 MolecularWeight: 482.554691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C(=CC(=C1)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4)OCC5=CC=CC=C5)OC([2H])([2H])[2H]

InChI

InChI=1S/C28H28O7/c1-30-25-13-20(14-26(27(25)31-2)32-15-18-6-4-3-5-7-18)11-22-21(16-33-28(22)29)10-19-8-9-23-24(12-19)35-17-34-23/h3-9,12-14,21-22H,10-11,15-17H2,1-2H3/i1D3,2D3