[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H22O5/c1-21(2,3)15-10-8-14(9-11-15)16(22)12-25-20(23)19-13-24-17-6-4-5-7-18(17)26-19/h4-11,19H,12-13H2,1-3H3