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

Systemtic Name: (2-chloranyl-4-isocyanato-phenyl) methanesulfonate Openeye Name: (2-chloro-4-isocyanato-phenyl) methanesulfonate CAS Name: methanesulfonic acid (2-chloro-4-isocyanatophenyl) ester IUPAC Name: (2-chloro-4-isocyanatophenyl) methanesulfonate Traditional Name: methanesulfonic acid (2-chloro-4-isocyanato-phenyl) ester Formula: C8H6ClNO4S MolecularWeight: 247.65554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)N=C=O)Cl

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)N=C=O)Cl

InChI

InChI=1S/C8H6ClNO4S/c1-15(12,13)14-8-3-2-6(10-5-11)4-7(8)9/h2-4H,1H3