ethyl 2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrate

Systemtic Name: ethyl 2-(ethoxycarbonylamino)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate hydrate Openeye Name: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-hydroxy-propanoate hydrate CAS Name: 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester hydrate IUPAC Name: ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-hydroxypropanoate hydrate Traditional Name: 2-(carbethoxyamino)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester hydrate Formula: C16H26F6N2O11 MolecularWeight: 536.374859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)O.CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)O.O

Isomeric SMILES

CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)O.CCOC(=O)C(C(F)(F)F)(NC(=O)OCC)O.O

InChI

InChI=1S/2C8H12F3NO5.H2O/c2*1-3-16-5(13)7(15,8(9,10)11)12-6(14)17-4-2;/h2*15H,3-4H2,1-2H3,(H,12,14);1H2