[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OC(C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H24O4/c1-13-7-6-8-17(18(13)22)20(24)25-14(2)19(23)15-9-11-16(12-10-15)21(3,4)5/h6-12,14,22H,1-5H3/t14-/m1/s1