4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane

Systemtic Name: 4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane Openeye Name: 4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane CAS Name: 4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane IUPAC Name: 4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane Traditional Name: 4-[(1S)-1-isocyanoethyl]-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12OCC(CO1)(CO2)C)[N+]#[C-]

Isomeric SMILES

C[C@@H](C12OCC(CO1)(CO2)C)[N+]#[C-]

InChI

InChI=1S/C9H13NO3/c1-7(10-3)9-11-4-8(2,5-12-9)6-13-9/h7H,4-6H2,1-2H3/t7-,8?,9?/m0/s1