propyl isocyanatomethanesulfonate

Systemtic Name: propyl isocyanatomethanesulfonate Openeye Name: propyl isocyanatomethanesulfonate CAS Name: isocyanatomethanesulfonic acid propyl ester IUPAC Name: propyl isocyanatomethanesulfonate Traditional Name: isocyanatomethanesulfonic acid propyl ester Formula: C5H9NO4S MolecularWeight: 179.19426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)CN=C=O

Isomeric SMILES

CCCOS(=O)(=O)CN=C=O

InChI

InChI=1S/C5H9NO4S/c1-2-3-10-11(8,9)5-6-4-7/h2-3,5H2,1H3