(2-methyl-4-oxidanylidene-pyran-3-yl) 3,5-ditert-butylbenzoate

Systemtic Name: (2-methyl-4-oxidanylidene-pyran-3-yl) 3,5-ditert-butylbenzoate Openeye Name: (2-methyl-4-oxo-pyran-3-yl) 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid (2-methyl-4-oxo-3-pyranyl) ester IUPAC Name: (2-methyl-4-oxopyran-3-yl) 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid (4-keto-2-methyl-pyran-3-yl) ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)C=CO1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H26O4/c1-13-18(17(22)8-9-24-13)25-19(23)14-10-15(20(2,3)4)12-16(11-14)21(5,6)7/h8-12H,1-7H3