butyl 2-butylhexanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: butyl 2-butylhexanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: butyl 2-butylhexanoate citrate CAS Name: 2-butylhexanoic acid butyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: butyl 2-butylhexanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-butylhexanoic acid butyl ester citrate Formula: C20H33O9-3 MolecularWeight: 417.47062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28O2.C6H8O7/c1-4-7-10-13(11-8-5-2)14(15)16-12-9-6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,4-12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3