2-ethyl-5-propan-2-yl-1,3-oxazole; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-ethyl-5-propan-2-yl-1,3-oxazole; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-ethyl-5-isopropyl-oxazole citrate CAS Name: 2-ethyl-5-propan-2-yloxazole; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-ethyl-5-propan-2-yl-1,3-oxazole; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-ethyl-5-isopropyl-oxazole citrate Formula: C14H18NO8-3 MolecularWeight: 328.29462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(O1)C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC1=NC=C(O1)C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C8H13NO.C6H8O7/c1-4-8-9-5-7(10-8)6(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6H,4H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3