2,2-bis(hydroxymethyl)propane-1,3-diol; 2-oxidanyldocosanoate

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-oxidanyldocosanoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxydocosanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxydocosanoate IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxydocosanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 2-hydroxybehenate Formula: C32H67O11- MolecularWeight: 627.86778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O.C(C(CO)(CO)CO)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C22H44O3.2C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(24)25;2*6-1-5(2-7,3-8)4-9/h21,23H,2-20H2,1H3,(H,24,25);2*6-9H,1-4H2/p-1