2-docosan-3-ylpropanedioic acid

Systemtic Name: 2-docosan-3-ylpropanedioic acid Openeye Name: 2-(1-ethylicosyl)propanedioic acid CAS Name: 2-docosan-3-ylpropanedioic acid IUPAC Name: 2-docosan-3-ylpropanedioic acid Traditional Name: 2-(1-ethyleicosyl)malonic acid Formula: C25H48O4 MolecularWeight: 412.64622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC)C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC)C(C(=O)O)C(=O)O

InChI

InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(4-2)23(24(26)27)25(28)29/h22-23H,3-21H2,1-2H3,(H,26,27)(H,28,29)