(E)-4-methyl-6-[7-methyl-4-oxidanyl-3-oxidanylidene-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid

Systemtic Name: (E)-4-methyl-6-[7-methyl-4-oxidanyl-3-oxidanylidene-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoic acid Openeye Name: (E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]-4-methyl-hex-4-enoic acid CAS Name: (E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid Traditional Name: (E)-6-[4-hydroxy-3-keto-7-methyl-6-(trideuteriomethoxy)phthalan-5-yl]-4-methyl-hex-4-enoic acid Formula: C17H20O6 MolecularWeight: 323.355585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C2=C(C(=C1C/C=C(\C)/CCC(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+/i3D3