2-cyclohexylbutanoate; N,N-diethylethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-cyclohexylbutanoate; N,N-diethylethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-cyclohexylbutanoate; N,N-diethylethanamine; citrate CAS Name: 2-cyclohexylbutanoate; N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-cyclohexylbutanoate; N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-cyclohexylbutyrate; triethylamine; citrate Formula: C22H36NO9-4 MolecularWeight: 458.52254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCC1)C(=O)[O-].CCN(CC)C[CH2].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(C1CCCCC1)C(=O)[O-].CCN(CC)C[CH2].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H18O2.C6H14N.C6H8O7/c1-2-9(10(11)12)8-6-4-3-5-7-8;1-4-7(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9H,2-7H2,1H3,(H,11,12);1,4-6H2,2-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4