[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22O5/c21-18(20-7-12-3-13(8-20)5-14(4-12)9-20)10-23-19(22)15-1-2-16-17(6-15)25-11-24-16/h1-2,6,12-14H,3-5,7-11H2