4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexane-1-carboxylate

Systemtic Name: 4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexane-1-carboxylate Openeye Name: 4-[2-(4-acetoxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexanecarboxylate CAS Name: 4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-1-cyclohexanecarboxylate IUPAC Name: 4-[2-(4-acetyloxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclohexane-1-carboxylate Traditional Name: 4-[2-(4-acetoxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]cyclohexanecarboxylate Formula: C21H23O7- MolecularWeight: 387.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)CC=C3CCC(CC3)C(=O)[O-])OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)CC=C3CCC(CC3)C(=O)[O-])OC

InChI

InChI=1S/C21H24O7/c1-11-16-10-27-21(25)17(16)19(28-12(2)22)15(18(11)26-3)9-6-13-4-7-14(8-5-13)20(23)24/h6,14H,4-5,7-10H2,1-3H3,(H,23,24)/p-1