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

Systemtic Name: (2E)-2-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylate Openeye Name: (2E)-2-[2-[6-methoxy-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]ethylidene]cyclopentanecarboxylate CAS Name: (2E)-2-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]ethylidene]-1-cyclopentanecarboxylate IUPAC Name: (2E)-2-[2-[6-methoxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]ethylidene]cyclopentane-1-carboxylate Traditional Name: (2E)-2-[2-(3-keto-6-methoxy-7-methyl-4-tosyloxy-phthalan-5-yl)ethylidene]cyclopentanecarboxylate Formula: C25H25O8S- MolecularWeight: 485.5262

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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=C4CCCC4C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)OC)C/C=C/4\CCCC4C(=O)[O-]

InChI

InChI=1S/C25H26O8S/c1-14-7-10-17(11-8-14)34(29,30)33-23-19(12-9-16-5-4-6-18(16)24(26)27)22(31-3)15(2)20-13-32-25(28)21(20)23/h7-11,18H,4-6,12-13H2,1-3H3,(H,26,27)/p-1/b16-9+