2,6-dimethylheptan-4-yl nonanoate

Systemtic Name: 2,6-dimethylheptan-4-yl nonanoate Openeye Name: (1-isobutyl-3-methyl-butyl) nonanoate CAS Name: nonanoic acid 2,6-dimethylheptan-4-yl ester IUPAC Name: 2,6-dimethylheptan-4-yl nonanoate Traditional Name: pelargonic acid (1-isobutyl-3-methyl-butyl) ester Formula: C18H36O2 MolecularWeight: 284.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-18(19)20-17(13-15(2)3)14-16(4)5/h15-17H,6-14H2,1-5H3