2,2,2-tris(chloranyl)ethyl (2R,2'R,3'R)-3'-aminocarbonyloxy-2'-oxidanyl-spiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-6-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (2R,2'R,3'R)-3'-aminocarbonyloxy-2'-oxidanyl-spiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-6-carboxylate Openeye Name: 2,2,2-trichloroethyl (2R,2'R,3'R)-3'-carbamoyloxy-2'-hydroxy-spiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-6-carboxylate CAS Name: (2R,2'R,3'R)-3'-carbamoyloxy-2'-hydroxy-6-spiro[4H-1,3-benzodioxin-2,1'-cyclohexane]carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (2R,2'R,3'R)-3'-carbamoyloxy-2'-hydroxyspiro[4H-1,3-benzodioxine-2,1'-cyclohexane]-6-carboxylate Traditional Name: (2R,2'R,3'R)-3'-carbamoyloxy-2'-hydroxy-spiro[4H-1,3-benzodioxin-2,1'-cyclohexane]-6-carboxylic acid 2,2,2-trichloroethyl ester Formula: C17H18Cl3NO7 MolecularWeight: 454.68632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2(C1)OCC3=C(O2)C=CC(=C3)C(=O)OCC(Cl)(Cl)Cl)O)OC(=O)N

Isomeric SMILES

C1C[C@H]([C@H]([C@]2(C1)OCC3=C(O2)C=CC(=C3)C(=O)OCC(Cl)(Cl)Cl)O)OC(=O)N

InChI

InChI=1S/C17H18Cl3NO7/c18-17(19,20)8-25-14(23)9-3-4-11-10(6-9)7-26-16(28-11)5-1-2-12(13(16)22)27-15(21)24/h3-4,6,12-13,22H,1-2,5,7-8H2,(H2,21,24)/t12-,13-,16-/m1/s1