2,2-dimethylpropyl (2S,3R)-2,3-dimethyl-5-oxidanylidene-5-(2,4,6-trimethylphenyl)pentanoate

Systemtic Name: 2,2-dimethylpropyl (2S,3R)-2,3-dimethyl-5-oxidanylidene-5-(2,4,6-trimethylphenyl)pentanoate Openeye Name: 2,2-dimethylpropyl (2S,3R)-2,3-dimethyl-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate CAS Name: (2S,3R)-2,3-dimethyl-5-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (2S,3R)-2,3-dimethyl-5-oxo-5-(2,4,6-trimethylphenyl)pentanoate Traditional Name: (2S,3R)-5-keto-5-mesityl-2,3-dimethyl-valeric acid neopentyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CC(C)C(C)C(=O)OCC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)C[C@@H](C)[C@H](C)C(=O)OCC(C)(C)C)C

InChI

InChI=1S/C21H32O3/c1-13-9-15(3)19(16(4)10-13)18(22)11-14(2)17(5)20(23)24-12-21(6,7)8/h9-10,14,17H,11-12H2,1-8H3/t14-,17+/m1/s1