(3S)-5-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-(4-tert-butylphenyl)-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-5-(4-tert-butylphenyl)-3-methyl-5-oxo-pentanoate CAS Name: (3S)-5-(4-tert-butylphenyl)-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-(4-tert-butylphenyl)-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-(4-tert-butylphenyl)-5-keto-3-methyl-valerate Formula: C16H21O3- MolecularWeight: 261.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)[O-]

InChI

InChI=1S/C16H22O3/c1-11(10-15(18)19)9-14(17)12-5-7-13(8-6-12)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,18,19)/p-1/t11-/m0/s1