dimethyl (2S,5R)-2-ethyl-2-methyl-5-[(1R)-1-oxidanylethyl]-3-oxidanylidene-hexanedioate

Systemtic Name: dimethyl (2S,5R)-2-ethyl-2-methyl-5-[(1R)-1-oxidanylethyl]-3-oxidanylidene-hexanedioate Openeye Name: dimethyl (2S,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]-2-methyl-3-oxo-hexanedioate CAS Name: (2S,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]-2-methyl-3-oxohexanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]-2-methyl-3-oxohexanedioate Traditional Name: (2S,5R)-2-ethyl-5-[(1R)-1-hydroxyethyl]-3-keto-2-methyl-adipic acid dimethyl ester Formula: C13H22O6 MolecularWeight: 274.31018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CC(C(C)O)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H22O6/c1-6-13(3,12(17)19-5)10(15)7-9(8(2)14)11(16)18-4/h8-9,14H,6-7H2,1-5H3/t8-,9-,13+/m1/s1