[(3R,4R,5R)-4-methyl-3,5-bis(oxidanyl)heptyl] 2,2-dimethylpropanoate

Systemtic Name: [(3R,4R,5R)-4-methyl-3,5-bis(oxidanyl)heptyl] 2,2-dimethylpropanoate Openeye Name: [(3R,4R,5R)-3,5-dihydroxy-4-methyl-heptyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3R,4R,5R)-3,5-dihydroxy-4-methylheptyl] ester IUPAC Name: [(3R,4R,5R)-3,5-dihydroxy-4-methylheptyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3R,4R,5R)-3,5-dihydroxy-4-methyl-heptyl] ester Formula: C13H26O4 MolecularWeight: 246.34314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(CCOC(=O)C(C)(C)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H26O4/c1-6-10(14)9(2)11(15)7-8-17-12(16)13(3,4)5/h9-11,14-15H,6-8H2,1-5H3/t9-,10-,11-/m1/s1