dimethyl 2-isocyanatosulfonylbenzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-isocyanatosulfonylbenzene-1,4-dicarboxylate Openeye Name: dimethyl 2-isocyanatosulfonylbenzene-1,4-dicarboxylate CAS Name: 2-isocyanatosulfonylbenzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-isocyanatosulfonylbenzene-1,4-dicarboxylate Traditional Name: 2-isocyanatosulfonylbenzene-1,4-dicarboxylic acid dimethyl ester Formula: C11H9NO7S MolecularWeight: 299.25666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O

InChI

InChI=1S/C11H9NO7S/c1-18-10(14)7-3-4-8(11(15)19-2)9(5-7)20(16,17)12-6-13/h3-5H,1-2H3