[(3S,4S)-4-methyl-3-oxidanyl-2-oxidanylidene-4-phenylmethoxy-decyl] 2,2-dimethylpropanoate

Systemtic Name: [(3S,4S)-4-methyl-3-oxidanyl-2-oxidanylidene-4-phenylmethoxy-decyl] 2,2-dimethylpropanoate Openeye Name: [(3S,4S)-4-benzyloxy-3-hydroxy-4-methyl-2-oxo-decyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3S,4S)-3-hydroxy-4-methyl-2-oxo-4-phenylmethoxydecyl] ester IUPAC Name: [(3S,4S)-3-hydroxy-4-methyl-2-oxo-4-phenylmethoxydecyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3S,4S)-4-benzoxy-3-hydroxy-2-keto-4-methyl-decyl] ester Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(C(=O)COC(=O)C(C)(C)C)O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C23H36O5/c1-6-7-8-12-15-23(5,28-16-18-13-10-9-11-14-18)20(25)19(24)17-27-21(26)22(2,3)4/h9-11,13-14,20,25H,6-8,12,15-17H2,1-5H3/t20-,23+/m1/s1