2-octadecyl-2-triacontan-14-yl-icosanedioic acid

Systemtic Name: 2-octadecyl-2-triacontan-14-yl-icosanedioic acid Openeye Name: 2-octadecyl-2-(1-tridecylheptadecyl)icosanedioic acid CAS Name: 2-octadecyl-2-triacontan-14-yleicosanedioic acid IUPAC Name: 2-octadecyl-2-triacontan-14-ylicosanedioic acid Traditional Name: 2-stearyl-2-(1-tridecylheptadecyl)eicosanedioic acid Formula: C68H134O4 MolecularWeight: 1015.78916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)(C(CCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)(C(CCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C68H134O4/c1-4-7-10-13-16-19-22-24-26-29-33-38-43-48-53-58-63-68(67(71)72,64-59-54-49-44-39-34-30-27-28-32-37-42-47-52-57-62-66(69)70)65(60-55-50-45-40-35-21-18-15-12-9-6-3)61-56-51-46-41-36-31-25-23-20-17-14-11-8-5-2/h65H,4-64H2,1-3H3,(H,69,70)(H,71,72)