2-[(2E)-2-[2-(6-but-2-ynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]-5-oxidanylidene-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(2E)-2-[2-(6-but-2-ynyl-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]-5-oxidanylidene-cyclohexyl]ethanoic acid Openeye Name: 2-[(2E)-2-[2-(6-but-2-ynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-5-oxo-cyclohexyl]acetic acid CAS Name: 2-[(2E)-2-[2-(6-but-2-ynyl-4-hydroxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]-5-oxocyclohexyl]acetic acid IUPAC Name: 2-[(2E)-2-[2-(6-but-2-ynyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]-5-oxocyclohexyl]acetic acid Traditional Name: 2-[(2E)-2-[2-(6-but-2-ynyl-4-hydroxy-3-keto-7-methyl-phthalan-5-yl)ethylidene]-5-keto-cyclohexyl]acetic acid Formula: C23H24O6 MolecularWeight: 396.43306

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=C(C2=C(C(=C1CC=C3CCC(=O)CC3CC(=O)O)O)C(=O)OC2)C

Isomeric SMILES

CC#CCC1=C(C2=C(C(=C1C/C=C/3\CCC(=O)CC3CC(=O)O)O)C(=O)OC2)C

InChI

InChI=1S/C23H24O6/c1-3-4-5-17-13(2)19-12-29-23(28)21(19)22(27)18(17)9-7-14-6-8-16(24)10-15(14)11-20(25)26/h7,15,27H,5-6,8-12H2,1-2H3,(H,25,26)/b14-7+