ditert-butyl 2-[(1R,2S)-3-methyl-1-oxidanyl-2-phenylmethoxy-butyl]propanedioate

Systemtic Name: ditert-butyl 2-[(1R,2S)-3-methyl-1-oxidanyl-2-phenylmethoxy-butyl]propanedioate Openeye Name: ditert-butyl 2-[(1R,2S)-2-benzyloxy-1-hydroxy-3-methyl-butyl]propanedioate CAS Name: 2-[(1R,2S)-1-hydroxy-3-methyl-2-phenylmethoxybutyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(1R,2S)-1-hydroxy-3-methyl-2-phenylmethoxybutyl]propanedioate Traditional Name: 2-[(1R,2S)-2-benzoxy-1-hydroxy-3-methyl-butyl]malonic acid ditert-butyl ester Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H]([C@@H](C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H36O6/c1-15(2)19(27-14-16-12-10-9-11-13-16)18(24)17(20(25)28-22(3,4)5)21(26)29-23(6,7)8/h9-13,15,17-19,24H,14H2,1-8H3/t18-,19+/m1/s1