ethyl 3-[(4-acetyloxy-6-ethenyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-hexyl-cyclopent-3-ene-1-carboxylate

Systemtic Name: ethyl 3-[(4-acetyloxy-6-ethenyl-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)methyl]-4-hexyl-cyclopent-3-ene-1-carboxylate Openeye Name: ethyl 3-[(4-acetoxy-7-methyl-3-oxo-6-vinyl-1H-isobenzofuran-5-yl)methyl]-4-hexyl-cyclopent-3-ene-1-carboxylate CAS Name: 3-[(4-acetyloxy-6-ethenyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)methyl]-4-hexyl-1-cyclopent-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetyloxy-6-ethenyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl)methyl]-4-hexylcyclopent-3-ene-1-carboxylate Traditional Name: 3-[(4-acetoxy-3-keto-7-methyl-6-vinyl-phthalan-5-yl)methyl]-4-hexyl-cyclopent-3-ene-1-carboxylic acid ethyl ester Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(CC(C1)C(=O)OCC)CC2=C(C3=C(COC3=O)C(=C2C=C)C)OC(=O)C

Isomeric SMILES

CCCCCCC1=C(CC(C1)C(=O)OCC)CC2=C(C3=C(COC3=O)C(=C2C=C)C)OC(=O)C

InChI

InChI=1S/C28H36O6/c1-6-9-10-11-12-19-13-21(27(30)32-8-3)14-20(19)15-23-22(7-2)17(4)24-16-33-28(31)25(24)26(23)34-18(5)29/h7,21H,2,6,8-16H2,1,3-5H3