[6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] benzoate

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] benzoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] benzoate CAS Name: benzoic acid [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] benzoate Traditional Name: benzoic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C25H18O6 MolecularWeight: 414.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H18O6/c1-14-23-19(26)10-18(17-8-9-20-21(11-17)29-13-28-20)12-22(24(23)15(2)30-14)31-25(27)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3