[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H22O6/c1-14-8-15(2)10-17(9-14)26-13-21(23)27-12-18(22)16-4-5-19-20(11-16)25-7-3-6-24-19/h4-5,8-11H,3,6-7,12-13H2,1-2H3