2-[(Z)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclohexane-1-carboxylate

Systemtic Name: 2-[(Z)-4-(6-ethyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclohexane-1-carboxylate Openeye Name: 2-[(Z)-3-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-methyl-prop-1-enyl]cyclohexanecarboxylate CAS Name: 2-[(Z)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)but-2-en-2-yl]-1-cyclohexanecarboxylate IUPAC Name: 2-[(Z)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)but-2-en-2-yl]cyclohexane-1-carboxylate Traditional Name: 2-[(Z)-3-(6-ethyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)-1-methyl-prop-1-enyl]cyclohexanecarboxylate Formula: C22H27O5- MolecularWeight: 371.44678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)C3CCCCC3C(=O)[O-])O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(/C)\C3CCCCC3C(=O)[O-])O)C(=O)OC2)C

InChI

InChI=1S/C22H28O5/c1-4-14-13(3)18-11-27-22(26)19(18)20(23)16(14)10-9-12(2)15-7-5-6-8-17(15)21(24)25/h9,15,17,23H,4-8,10-11H2,1-3H3,(H,24,25)/p-1/b12-9-