ethyl 6-[2-(2,4,6-trimethylphenyl)ethanoyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: ethyl 6-[2-(2,4,6-trimethylphenyl)ethanoyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate Openeye Name: ethyl 6-[2-(2,4,6-trimethylphenyl)acetyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate CAS Name: 6-[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(2,4,6-trimethylphenyl)acetyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-(2-mesitylacetyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(CC1C(=O)CC3=C(C=C(C=C3C)C)C)OCO2

Isomeric SMILES

CCOC(=O)C1CC2C(CC1C(=O)CC3=C(C=C(C=C3C)C)C)OCO2

InChI

InChI=1S/C21H28O5/c1-5-24-21(23)17-10-20-19(25-11-26-20)9-16(17)18(22)8-15-13(3)6-12(2)7-14(15)4/h6-7,16-17,19-20H,5,8-11H2,1-4H3