octan-3-amine; 2-oxidanylpropane-1,2,3-tricarboxylate; hydrate

Systemtic Name: octan-3-amine; 2-oxidanylpropane-1,2,3-tricarboxylate; hydrate Openeye Name: octan-3-amine citrate hydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 3-octanamine; hydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; octan-3-amine; hydrate Traditional Name: 1-ethylhexylamine citrate hydrate Formula: C14H26NO8-3 MolecularWeight: 336.35814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H19N.C6H8O7.H2O/c1-3-5-6-7-8(9)4-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h8H,3-7,9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/p-3