O1-butyl O6-(phenylmethyl) (2R,3S,5R)-3,5-dimethyl-2-oxidanyl-hexanedioate

Systemtic Name: O1-butyl O6-(phenylmethyl) (2R,3S,5R)-3,5-dimethyl-2-oxidanyl-hexanedioate Openeye Name: O6-benzyl O1-butyl (2R,3S,5R)-2-hydroxy-3,5-dimethyl-hexanedioate CAS Name: (2R,3S,5R)-2-hydroxy-3,5-dimethylhexanedioic acid O1-butyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-butyl (2R,3S,5R)-2-hydroxy-3,5-dimethylhexanedioate Traditional Name: (2R,3S,5R)-2-hydroxy-3,5-dimethyl-adipic acid O6-benzyl ester O1-butyl ester Formula: C19H28O5 MolecularWeight: 336.42262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O5/c1-4-5-11-23-19(22)17(20)14(2)12-15(3)18(21)24-13-16-9-7-6-8-10-16/h6-10,14-15,17,20H,4-5,11-13H2,1-3H3/t14-,15+,17+/m0/s1