ethane-1,2-diol; [(2S)-2-nonanoyloxy-3-oxidanyl-propyl] pentadecanoate; tetradecane; tridecane; decahydrate

Systemtic Name: ethane-1,2-diol; [(2S)-2-nonanoyloxy-3-oxidanyl-propyl] pentadecanoate; tetradecane; tridecane; decahydrate Openeye Name: ethylene glycol; [(2S)-3-hydroxy-2-nonanoyloxy-propyl] pentadecanoate; tetradecane; tridecane; decahydrate CAS Name: ethane-1,2-diol; pentadecanoic acid [(2S)-3-hydroxy-2-(1-oxononoxy)propyl] ester; tetradecane; tridecane; decahydrate IUPAC Name: ethane-1,2-diol; [(2S)-3-hydroxy-2-nonanoyloxypropyl] pentadecanoate; tetradecane; tridecane; decahydrate Traditional Name: ethylene glycol; pentadecanoic acid [(2S)-3-hydroxy-2-pelargonyloxy-propyl] ester; tetradecane; tridecane; decahydrate Formula: C56H136O17 MolecularWeight: 1081.66884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC.C(CO)O.O.O.O.O.O.O.O.O.O.O

Isomeric SMILES

CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC.C(CO)O.O.O.O.O.O.O.O.O.O.O

InChI

InChI=1S/C27H52O5.C14H30.C13H28.C2H6O2.10H2O/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-26(29)31-24-25(23-28)32-27(30)22-20-17-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;3-1-2-4;;;;;;;;;;/h25,28H,3-24H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-4H,1-2H2;10*1H2/t25-;;;;;;;;;;;;;/m0............./s1