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

Systemtic Name: methyl 3-[[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]methyl]-4-methyl-cyclopent-3-ene-1-carboxylate Openeye Name: methyl 3-[[6-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-4-methyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-[[6-methoxy-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-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]methyl]-4-methylcyclopent-3-ene-1-carboxylate Traditional Name: 3-[(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C26H28O8S MolecularWeight: 500.56072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C1)C(=O)OC)CC2=C(C3=C(COC3=O)C(=C2OC)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(=C2OC)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H28O8S/c1-14-6-8-19(9-7-14)35(29,30)34-24-20(12-17-11-18(10-15(17)2)25(27)32-5)23(31-4)16(3)21-13-33-26(28)22(21)24/h6-9,18H,10-13H2,1-5H3