[(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-3-oxidanylidene-1-benzofuran-6-yl] benzoate

Systemtic Name: [(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-3-oxidanylidene-1-benzofuran-6-yl] benzoate Openeye Name: [(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-3-oxo-benzofuran-6-yl] benzoate CAS Name: benzoic acid [(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)-3-oxo-1-benzofuran-6-yl] benzoate Traditional Name: benzoic acid [(2E)-3-keto-2-(5-methyl-3aH-1,3-benzodioxol-4-ylidene)coumaran-6-yl] ester Formula: C23H16O6 MolecularWeight: 388.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(C1=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CC=C5)OCO2

Isomeric SMILES

CC\1=CC=C2C(/C1=C/3\C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CC=C5)OCO2

InChI

InChI=1S/C23H16O6/c1-13-7-10-17-21(27-12-26-17)19(13)22-20(24)16-9-8-15(11-18(16)29-22)28-23(25)14-5-3-2-4-6-14/h2-11,21H,12H2,1H3/b22-19+