methyl 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate

Systemtic Name: methyl 3-methyl-4-[[7-methyl-4-(4-methylphenyl)sulfonyloxy-6-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-[[6-hydroxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-4-methyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]methyl]-4-methyl-1-cyclopent-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]methyl]-4-methylcyclopent-3-ene-1-carboxylate Traditional Name: 3-[(6-hydroxy-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C25H26O8S MolecularWeight: 486.53414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1)C(=O)OC)CC2=C(C3=C(COC3=O)C(=C2O)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=C(CC(C1)C(=O)OC)CC2=C(C3=C(COC3=O)C(=C2O)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26O8S/c1-13-5-7-18(8-6-13)34(29,30)33-23-19(11-16-10-17(9-14(16)2)24(27)31-4)22(26)15(3)20-12-32-25(28)21(20)23/h5-8,17,26H,9-12H2,1-4H3