2-octadecyl-3,4,5-tris(oxidanyl)benzoate

Systemtic Name: 2-octadecyl-3,4,5-tris(oxidanyl)benzoate Openeye Name: 3,4,5-trihydroxy-2-octadecyl-benzoate CAS Name: 3,4,5-trihydroxy-2-octadecylbenzoate IUPAC Name: 3,4,5-trihydroxy-2-octadecylbenzoate Traditional Name: 3,4,5-trihydroxy-2-stearyl-benzoate Formula: C25H41O5- MolecularWeight: 421.59004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1C(=O)[O-])O)O)O

InChI

InChI=1S/C25H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(25(29)30)19-22(26)24(28)23(20)27/h19,26-28H,2-18H2,1H3,(H,29,30)/p-1