hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate

Systemtic Name: hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate Openeye Name: hexyl (E)-3-isocyanato-2-methyl-pent-2-enoate CAS Name: (E)-3-isocyanato-2-methyl-2-pentenoic acid hexyl ester IUPAC Name: hexyl (E)-3-isocyanato-2-methylpent-2-enoate Traditional Name: (E)-3-isocyanato-2-methyl-pent-2-enoic acid hexyl ester Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=C(CC)N=C=O)C

Isomeric SMILES

CCCCCCOC(=O)/C(=C(\CC)/N=C=O)/C

InChI

InChI=1S/C13H21NO3/c1-4-6-7-8-9-17-13(16)11(3)12(5-2)14-10-15/h4-9H2,1-3H3/b12-11+