ethyl 13-(4,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-2-ethanoyl-tridecanoate

Systemtic Name: ethyl 13-(4,6-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-2-ethanoyl-tridecanoate Openeye Name: ethyl 2-acetyl-13-(4,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)tridecanoate CAS Name: 2-acetyl-13-(4,6-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)tridecanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-13-(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)tridecanoate Traditional Name: 2-acetyl-13-(3-keto-4,6-dimethoxy-phthalan-1-yl)tridecanoic acid ethyl ester Formula: C27H40O7 MolecularWeight: 476.6023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCCCCCC1C2=CC(=CC(=C2C(=O)O1)OC)OC)C(=O)C

Isomeric SMILES

CCOC(=O)C(CCCCCCCCCCCC1C2=CC(=CC(=C2C(=O)O1)OC)OC)C(=O)C

InChI

InChI=1S/C27H40O7/c1-5-33-26(29)21(19(2)28)15-13-11-9-7-6-8-10-12-14-16-23-22-17-20(31-3)18-24(32-4)25(22)27(30)34-23/h17-18,21,23H,5-16H2,1-4H3