methyl 2-isocyanooctanoate

Systemtic Name: methyl 2-isocyanooctanoate Openeye Name: methyl 2-isocyanooctanoate CAS Name: 2-isocyanooctanoic acid methyl ester IUPAC Name: methyl 2-isocyanooctanoate Traditional Name: 2-isocyanocaprylic acid methyl ester Formula: C10H17NO2 MolecularWeight: 183.24748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC)[N+]#[C-]

Isomeric SMILES

CCCCCCC(C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C10H17NO2/c1-4-5-6-7-8-9(11-2)10(12)13-3/h9H,4-8H2,1,3H3