(2,2,4,4-tetramethyl-3-oxidanyl-pentyl) 3-ethoxy-5-methoxy-1-benzofuran-2-carboxylate

Systemtic Name: (2,2,4,4-tetramethyl-3-oxidanyl-pentyl) 3-ethoxy-5-methoxy-1-benzofuran-2-carboxylate Openeye Name: (3-hydroxy-2,2,4,4-tetramethyl-pentyl) 3-ethoxy-5-methoxy-benzofuran-2-carboxylate CAS Name: 3-ethoxy-5-methoxy-2-benzofurancarboxylic acid (3-hydroxy-2,2,4,4-tetramethylpentyl) ester IUPAC Name: (3-hydroxy-2,2,4,4-tetramethylpentyl) 3-ethoxy-5-methoxy-1-benzofuran-2-carboxylate Traditional Name: 3-ethoxy-5-methoxy-coumarilic acid (3-hydroxy-2,2,4,4-tetramethyl-pentyl) ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(C)(C)C(C(C)(C)C)O

Isomeric SMILES

CCOC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(C)(C)C(C(C)(C)C)O

InChI

InChI=1S/C21H30O6/c1-8-25-16-14-11-13(24-7)9-10-15(14)27-17(16)18(22)26-12-21(5,6)19(23)20(2,3)4/h9-11,19,23H,8,12H2,1-7H3