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

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 4-tert-butylbenzoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C29H26O6 MolecularWeight: 470.51314

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H26O6/c1-16-26-22(30)12-20(19-8-11-23-24(13-19)33-15-32-23)14-25(27(26)17(2)34-16)35-28(31)18-6-9-21(10-7-18)29(3,4)5/h6-14H,15H2,1-5H3