[(2E)-3,7-dimethylocta-2,6-dienyl] 6,7-dimethyl-5-oxidanyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 6,7-dimethyl-5-oxidanyl-1-benzofuran-2-carboxylate Openeye Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 5-hydroxy-6,7-dimethyl-benzofuran-2-carboxylate CAS Name: 5-hydroxy-6,7-dimethyl-2-benzofurancarboxylic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 5-hydroxy-6,7-dimethyl-1-benzofuran-2-carboxylate Traditional Name: 5-hydroxy-6,7-dimethyl-coumarilic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(OC2=C1C)C(=O)OCC=C(C)CCC=C(C)C)O

Isomeric SMILES

CC1=C(C=C2C=C(OC2=C1C)C(=O)OC/C=C(\C)/CCC=C(C)C)O

InChI

InChI=1S/C21H26O4/c1-13(2)7-6-8-14(3)9-10-24-21(23)19-12-17-11-18(22)15(4)16(5)20(17)25-19/h7,9,11-12,22H,6,8,10H2,1-5H3/b14-9+