(2,6-ditert-butyl-4-methoxy-phenyl) (3S)-3-methyl-2-oxidanylidene-6-phenylmethoxy-hexanoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (3S)-3-methyl-2-oxidanylidene-6-phenylmethoxy-hexanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (3S)-6-benzyloxy-3-methyl-2-oxo-hexanoate CAS Name: (3S)-3-methyl-2-oxo-6-phenylmethoxyhexanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (3S)-3-methyl-2-oxo-6-phenylmethoxyhexanoate Traditional Name: (3S)-6-benzoxy-2-keto-3-methyl-hexanoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C29H40O5 MolecularWeight: 468.6249

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOCC1=CC=CC=C1)C(=O)C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

Isomeric SMILES

C[C@@H](CCCOCC1=CC=CC=C1)C(=O)C(=O)OC2=C(C=C(C=C2C(C)(C)C)OC)C(C)(C)C

InChI

InChI=1S/C29H40O5/c1-20(13-12-16-33-19-21-14-10-9-11-15-21)25(30)27(31)34-26-23(28(2,3)4)17-22(32-8)18-24(26)29(5,6)7/h9-11,14-15,17-18,20H,12-13,16,19H2,1-8H3/t20-/m0/s1