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

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 3,4-dimethoxybenzoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C27H22O8 MolecularWeight: 474.45878

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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(=C(C=C5)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H22O8/c1-14-25-19(28)9-18(16-5-8-21-23(10-16)33-13-32-21)12-24(26(25)15(2)34-14)35-27(29)17-6-7-20(30-3)22(11-17)31-4/h5-12H,13H2,1-4H3