ethyl (2S,3R)-3-isocyanato-2-oxidanyl-octanoate

Systemtic Name: ethyl (2S,3R)-3-isocyanato-2-oxidanyl-octanoate Openeye Name: ethyl (2S,3R)-2-hydroxy-3-isocyanato-octanoate CAS Name: (2S,3R)-2-hydroxy-3-isocyanatooctanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-hydroxy-3-isocyanatooctanoate Traditional Name: (2S,3R)-2-hydroxy-3-isocyanato-caprylic acid ethyl ester Formula: C11H19NO4 MolecularWeight: 229.27286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OCC)O)N=C=O

Isomeric SMILES

CCCCC[C@H]([C@@H](C(=O)OCC)O)N=C=O

InChI

InChI=1S/C11H19NO4/c1-3-5-6-7-9(12-8-13)10(14)11(15)16-4-2/h9-10,14H,3-7H2,1-2H3/t9-,10+/m1/s1