2,3-dimethylbutane-2,3-diol; 2-oxidanyloctadecanoate

Systemtic Name: 2,3-dimethylbutane-2,3-diol; 2-oxidanyloctadecanoate Openeye Name: 2,3-dimethylbutane-2,3-diol; 2-hydroxyoctadecanoate CAS Name: 2,3-dimethylbutane-2,3-diol; 2-hydroxyoctadecanoate IUPAC Name: 2,3-dimethylbutane-2,3-diol; 2-hydroxyoctadecanoate Traditional Name: 2-hydroxystearate; pinacol Formula: C24H49O5- MolecularWeight: 417.64286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O3.C6H14O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;1-5(2,7)6(3,4)8/h17,19H,2-16H2,1H3,(H,20,21);7-8H,1-4H3/p-1