[(3R)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] nonanoate

Systemtic Name: [(3R)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] nonanoate Openeye Name: [(3R)-2,2,4-trimethyl-3-pentanoyloxy-pentyl] nonanoate CAS Name: nonanoic acid [(3R)-2,2,4-trimethyl-3-(1-oxopentoxy)pentyl] ester IUPAC Name: [(3R)-2,2,4-trimethyl-3-pentanoyloxypentyl] nonanoate Traditional Name: pelargonic acid [(3R)-2,2,4-trimethyl-3-valeryloxy-pentyl] ester Formula: C22H42O4 MolecularWeight: 370.56648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(C)(C)C(C(C)C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC(=O)OCC(C)(C)[C@@H](C(C)C)OC(=O)CCCC

InChI

InChI=1S/C22H42O4/c1-7-9-11-12-13-14-16-19(23)25-17-22(5,6)21(18(3)4)26-20(24)15-10-8-2/h18,21H,7-17H2,1-6H3/t21-/m1/s1