methyl (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoate

Systemtic Name: methyl (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoate Openeye Name: methyl (E)-4-methyl-6-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]hex-4-enoate CAS Name: (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trideuteriomethoxy)-1H-isobenzofuran-5-yl]-4-hexenoic acid methyl ester IUPAC Name: methyl (E)-4-methyl-6-[7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]hex-4-enoate Traditional Name: (E)-6-[3-keto-7-methyl-4-tosyloxy-6-(trideuteriomethoxy)phthalan-5-yl]-4-methyl-hex-4-enoic acid methyl ester Formula: C25H28O8S MolecularWeight: 491.568505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)CC=C(C)CCC(=O)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C2=C(C(=C1C/C=C(\C)/CCC(=O)OC)OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC2)C

InChI

InChI=1S/C25H28O8S/c1-15-6-10-18(11-7-15)34(28,29)33-24-19(12-8-16(2)9-13-21(26)30-4)23(31-5)17(3)20-14-32-25(27)22(20)24/h6-8,10-11H,9,12-14H2,1-5H3/b16-8+/i5D3