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

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 4-methylbenzoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C26H20O6 MolecularWeight: 428.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=O)C3=C(OC(=C23)C)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=O)C3=C(OC(=C23)C)C)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H20O6/c1-14-4-6-17(7-5-14)26(28)32-23-12-19(18-8-9-21-22(11-18)30-13-29-21)10-20(27)24-15(2)31-16(3)25(23)24/h4-12H,13H2,1-3H3