[2,2-bis(bromomethyl)-3-propanoyloxy-propyl] propanoate; octanoic acid

Systemtic Name: [2,2-bis(bromomethyl)-3-propanoyloxy-propyl] propanoate; octanoic acid Openeye Name: [2,2-bis(bromomethyl)-3-propanoyloxy-propyl] propanoate; octanoic acid CAS Name: octanoic acid; propanoic acid [2,2-bis(bromomethyl)-3-(1-oxopropoxy)propyl] ester IUPAC Name: [2,2-bis(bromomethyl)-3-propanoyloxypropyl] propanoate; octanoic acid Traditional Name: caprylic acid; propionic acid [2,2-bis(bromomethyl)-3-propionyloxy-propyl] ester Formula: C19H34Br2O6 MolecularWeight: 518.27766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCC(=O)OCC(COC(=O)CC)(CBr)CBr

Isomeric SMILES

CCCCCCCC(=O)O.CCC(=O)OCC(COC(=O)CC)(CBr)CBr

InChI

InChI=1S/C11H18Br2O4.C8H16O2/c1-3-9(14)16-7-11(5-12,6-13)8-17-10(15)4-2;1-2-3-4-5-6-7-8(9)10/h3-8H2,1-2H3;2-7H2,1H3,(H,9,10)