2-ethylhexane-1,1,1-triol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-ethylhexane-1,1,1-triol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-ethylhexane-1,1,1-triol citrate CAS Name: 2-ethylhexane-1,1,1-triol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-ethylhexane-1,1,1-triol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-ethylhexane-1,1,1-triol citrate Formula: C14H23O10-3 MolecularWeight: 351.32642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18O3.C6H8O7/c1-3-5-6-7(4-2)8(9,10)11;7-3(8)1-6(13,5(11)12)2-4(9)10/h7,9-11H,3-6H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3