6-methyl-2-[5-methyl-7-(2-methylbutanoyloxy)heptoxy]carbonyl-octanoic acid

Systemtic Name: 6-methyl-2-[5-methyl-7-(2-methylbutanoyloxy)heptoxy]carbonyl-octanoic acid Openeye Name: 6-methyl-2-[5-methyl-7-(2-methylbutanoyloxy)heptoxy]carbonyl-octanoic acid CAS Name: 6-methyl-2-[[5-methyl-7-(2-methyl-1-oxobutoxy)heptoxy]-oxomethyl]octanoic acid IUPAC Name: 6-methyl-2-[5-methyl-7-(2-methylbutanoyloxy)heptoxy]carbonyloctanoic acid Traditional Name: 6-methyl-2-[5-methyl-7-(2-methylbutanoyloxy)heptoxy]carbonyl-caprylic acid Formula: C23H42O6 MolecularWeight: 414.57598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC(C(=O)O)C(=O)OCCCCC(C)CCOC(=O)C(C)CC

Isomeric SMILES

CCC(C)CCCC(C(=O)O)C(=O)OCCCCC(C)CCOC(=O)C(C)CC

InChI

InChI=1S/C23H42O6/c1-6-17(3)12-10-13-20(21(24)25)23(27)28-15-9-8-11-18(4)14-16-29-22(26)19(5)7-2/h17-20H,6-16H2,1-5H3,(H,24,25)