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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; docosanoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; docosanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; docosanoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; docosanoic acid Traditional Name: behenic acid; 2,2-dimethylolpropane-1,3-diol Formula: C27H56O6 MolecularWeight: 476.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C22H44O2.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;6-1-5(2-7,3-8)4-9/h2-21H2,1H3,(H,23,24);6-9H,1-4H2