[(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-carboxylate

Systemtic Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-carboxylate Openeye Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-hydroxy-3-oxo-1H-isobenzofuran-5-carboxylate CAS Name: 4-hydroxy-3-oxo-1H-isobenzofuran-5-carboxylic acid [(6E,9E,12E)-octadeca-6,9,12-trienyl] ester IUPAC Name: [(6E,9E,12E)-octadeca-6,9,12-trienyl] 4-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate Traditional Name: 4-hydroxy-3-keto-phthalan-5-carboxylic acid [(6E,9E,12E)-octadeca-6,9,12-trienyl] ester Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCCOC(=O)C1=C(C2=C(COC2=O)C=C1)O

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCOC(=O)C1=C(C2=C(COC2=O)C=C1)O

InChI

InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-26(29)23-19-18-22-21-32-27(30)24(22)25(23)28/h6-7,9-10,12-13,18-19,28H,2-5,8,11,14-17,20-21H2,1H3/b7-6+,10-9+,13-12+