ethyl 4-[3-(1,3-benzodioxol-5-yl)-4-ethoxy-1,4-bis(oxidanylidene)butan-2-yl]benzoate

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-4-ethoxy-1,4-bis(oxidanylidene)butan-2-yl]benzoate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-formyl-3-oxo-propyl]benzoate CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-4-ethoxy-1,4-dioxobutan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-yl)-4-ethoxy-1,4-dioxobutan-2-yl]benzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-ethoxy-1-formyl-3-keto-propyl]benzoic acid ethyl ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C=O)C(C2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C=O)C(C2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C22H22O7/c1-3-26-21(24)15-7-5-14(6-8-15)17(12-23)20(22(25)27-4-2)16-9-10-18-19(11-16)29-13-28-18/h5-12,17,20H,3-4,13H2,1-2H3