[2-(3-tert-butylphenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-(3-tert-butylphenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(3-tert-butylphenyl)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(3-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-tert-butylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(3-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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