[(E)-3-(2-isocyano-4-methylsulfonyloxy-phenyl)prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-(2-isocyano-4-methylsulfonyloxy-phenyl)prop-2-enyl] ethanoate Openeye Name: [(E)-3-(2-isocyano-4-methylsulfonyloxy-phenyl)allyl] acetate CAS Name: acetic acid [(E)-3-(2-isocyano-4-methylsulfonyloxyphenyl)prop-2-enyl] ester IUPAC Name: [(E)-3-(2-isocyano-4-methylsulfonyloxyphenyl)prop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-(2-isocyano-4-methylsulfonyloxy-phenyl)allyl] ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CC1=C(C=C(C=C1)OS(=O)(=O)C)[N+]#[C-]

Isomeric SMILES

CC(=O)OC/C=C/C1=C(C=C(C=C1)OS(=O)(=O)C)[N+]#[C-]

InChI

InChI=1S/C13H13NO5S/c1-10(15)18-8-4-5-11-6-7-12(9-13(11)14-2)19-20(3,16)17/h4-7,9H,8H2,1,3H3/b5-4+