2-oxidanyloctadecanoate; propane-1,2-diol

Systemtic Name: 2-oxidanyloctadecanoate; propane-1,2-diol Openeye Name: 2-hydroxyoctadecanoate; propane-1,2-diol CAS Name: 2-hydroxyoctadecanoate; propane-1,2-diol IUPAC Name: 2-hydroxyoctadecanoate; propane-1,2-diol Traditional Name: 2-hydroxystearate; propane-1,2-diol Formula: C21H43O5- MolecularWeight: 375.56312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O3.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;1-3(5)2-4/h17,19H,2-16H2,1H3,(H,20,21);3-5H,2H2,1H3/p-1