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

Systemtic Name: 4-[2-(4-acetyloxy-6-cyclopropyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexane-1-carboxylate Openeye Name: 4-[2-(4-acetoxy-6-cyclopropyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexanecarboxylate CAS Name: 4-[2-(4-acetyloxy-6-cyclopropyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-1-cyclohexanecarboxylate IUPAC Name: 4-[2-(4-acetyloxy-6-cyclopropyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclohexane-1-carboxylate Traditional Name: 4-[2-(4-acetoxy-6-cyclopropyl-3-keto-7-methyl-phthalan-5-yl)ethylidene]cyclohexanecarboxylate Formula: C23H25O6- MolecularWeight: 397.441

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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-])C4CC4

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C)CC=C3CCC(CC3)C(=O)[O-])C4CC4

InChI

InChI=1S/C23H26O6/c1-12-18-11-28-23(27)20(18)21(29-13(2)24)17(19(12)15-8-9-15)10-5-14-3-6-16(7-4-14)22(25)26/h5,15-16H,3-4,6-11H2,1-2H3,(H,25,26)/p-1