(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2)OCO3)C)C(C)(C)C

InChI

InChI=1S/C21H24O4/c1-13-8-16(21(3,4)5)9-14(2)17(13)11-23-20(22)15-6-7-18-19(10-15)25-12-24-18/h6-10H,11-12H2,1-5H3