4-oxidanylidenehexan-3-yl 2-[6-(phenylcarbonyl)-1,3-benzodioxol-5-yl]ethanoate

Systemtic Name: 4-oxidanylidenehexan-3-yl 2-[6-(phenylcarbonyl)-1,3-benzodioxol-5-yl]ethanoate Openeye Name: (1-ethyl-2-oxo-butyl) 2-(6-benzoyl-1,3-benzodioxol-5-yl)acetate CAS Name: 2-(6-benzoyl-1,3-benzodioxol-5-yl)acetic acid 4-oxohexan-3-yl ester IUPAC Name: 4-oxohexan-3-yl 2-(6-benzoyl-1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(6-benzoyl-1,3-benzodioxol-5-yl)acetic acid (1-ethyl-2-keto-butyl) ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CC)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=CC=C3)OCO2

Isomeric SMILES

CCC(C(=O)CC)OC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=CC=C3)OCO2

InChI

InChI=1S/C22H22O6/c1-3-17(23)18(4-2)28-21(24)11-15-10-19-20(27-13-26-19)12-16(15)22(25)14-8-6-5-7-9-14/h5-10,12,18H,3-4,11,13H2,1-2H3