methyl 3-[[6-ethyl-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-ethyl-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-ethyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]methyl]-4-methyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-[[6-ethyl-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-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]methyl]-4-methylcyclopent-3-ene-1-carboxylate Traditional Name: 3-[(6-ethyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)methyl]-4-methyl-cyclopent-3-ene-1-carboxylic acid methyl ester Formula: C27H30O7S MolecularWeight: 498.5879

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC3=C(CC(C3)C(=O)OC)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1CC3=C(CC(C3)C(=O)OC)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C27H30O7S/c1-6-21-17(4)23-14-33-27(29)24(23)25(34-35(30,31)20-9-7-15(2)8-10-20)22(21)13-18-12-19(11-16(18)3)26(28)32-5/h7-10,19H,6,11-14H2,1-5H3