12-carboxy-12-ethyl-10,10-dimethyl-hexadecanoate

Systemtic Name: 12-carboxy-12-ethyl-10,10-dimethyl-hexadecanoate Openeye Name: 12-carboxy-12-ethyl-10,10-dimethyl-hexadecanoate CAS Name: 12-carboxy-12-ethyl-10,10-dimethylhexadecanoate IUPAC Name: 12-carboxy-12-ethyl-10,10-dimethylhexadecanoate Traditional Name: 12-carboxy-12-ethyl-10,10-dimethyl-palmitate Formula: C21H39O4- MolecularWeight: 355.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CC(C)(C)CCCCCCCCC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCC(CC)(CC(C)(C)CCCCCCCCC(=O)[O-])C(=O)O

InChI

InChI=1S/C21H40O4/c1-5-7-16-21(6-2,19(24)25)17-20(3,4)15-13-11-9-8-10-12-14-18(22)23/h5-17H2,1-4H3,(H,22,23)(H,24,25)/p-1