propane-1,2-diol; 2,2,3-tris(oxidanyl)octadecanoate

Systemtic Name: propane-1,2-diol; 2,2,3-tris(oxidanyl)octadecanoate Openeye Name: propane-1,2-diol; 2,2,3-trihydroxyoctadecanoate CAS Name: propane-1,2-diol; 2,2,3-trihydroxyoctadecanoate IUPAC Name: propane-1,2-diol; 2,2,3-trihydroxyoctadecanoate Traditional Name: propane-1,2-diol; 2,2,3-trihydroxystearate Formula: C21H43O7- MolecularWeight: 407.56192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(=O)[O-])(O)O)O.CC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C(=O)[O-])(O)O)O.CC(CO)O

InChI

InChI=1S/C18H36O5.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)18(22,23)17(20)21;1-3(5)2-4/h16,19,22-23H,2-15H2,1H3,(H,20,21);3-5H,2H2,1H3/p-1