(2-chloranyl-4-isocyanato-phenyl) chloranylmethanesulfonate

Systemtic Name: (2-chloranyl-4-isocyanato-phenyl) chloranylmethanesulfonate Openeye Name: (2-chloro-4-isocyanato-phenyl) chloromethanesulfonate CAS Name: chloromethanesulfonic acid (2-chloro-4-isocyanatophenyl) ester IUPAC Name: (2-chloro-4-isocyanatophenyl) chloromethanesulfonate Traditional Name: chloromethanesulfonic acid (2-chloro-4-isocyanato-phenyl) ester Formula: C8H5Cl2NO4S MolecularWeight: 282.1006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=C=O)Cl)OS(=O)(=O)CCl

Isomeric SMILES

C1=CC(=C(C=C1N=C=O)Cl)OS(=O)(=O)CCl

InChI

InChI=1S/C8H5Cl2NO4S/c9-4-16(13,14)15-8-2-1-6(11-5-12)3-7(8)10/h1-3H,4H2