3-[(1S,2E)-2-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid

Systemtic Name: 3-[(1S,2E)-2-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid Openeye Name: 3-[(1S,2E)-2-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid CAS Name: 3-[(1S,2E)-2-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid IUPAC Name: 3-[(1S,2E)-2-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethylidene]cyclohexyl]propanoic acid Traditional Name: 3-[(1S,2E)-2-[2-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethylidene]cyclohexyl]propionic acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CC=C3CCCCC3CCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)C/C=C/3\CCCC[C@H]3CCC(=O)O)OC

InChI

InChI=1S/C21H26O6/c1-12-16-11-27-21(25)18(16)19(24)15(20(12)26-2)9-7-13-5-3-4-6-14(13)8-10-17(22)23/h7,14,24H,3-6,8-11H2,1-2H3,(H,22,23)/b13-7+/t14-/m0/s1