[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C22H22O6/c1-14-3-4-16(11-15(14)2)19(24)13-28-22(25)8-6-18(23)17-5-7-20-21(12-17)27-10-9-26-20/h3-5,7,11-12H,6,8-10,13H2,1-2H3