(2S,4S)-2-acetyloxy-4-methyl-hexanedioic acid

Systemtic Name: (2S,4S)-2-acetyloxy-4-methyl-hexanedioic acid Openeye Name: (2S,4S)-2-acetoxy-4-methyl-hexanedioic acid CAS Name: (2S,4S)-2-acetyloxy-4-methylhexanedioic acid IUPAC Name: (2S,4S)-2-acetyloxy-4-methylhexanedioic acid Traditional Name: (2S,4S)-2-acetoxy-4-methyl-adipic acid Formula: C9H14O6 MolecularWeight: 218.20386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O6/c1-5(4-8(11)12)3-7(9(13)14)15-6(2)10/h5,7H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,7-/m0/s1