hexane; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: hexane; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: hexane citrate CAS Name: hexane; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: hexane; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: n-hexane citrate Formula: C12H19O7-3 MolecularWeight: 275.27506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H14/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-5-6-4-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H2,1-2H3/p-3