3-chloranyl-2,6-diisocyanato-5-methyl-benzenesulfonic acid

Systemtic Name: 3-chloranyl-2,6-diisocyanato-5-methyl-benzenesulfonic acid Openeye Name: 3-chloro-2,6-diisocyanato-5-methyl-benzenesulfonic acid CAS Name: 3-chloro-2,6-diisocyanato-5-methylbenzenesulfonic acid IUPAC Name: 3-chloro-2,6-diisocyanato-5-methylbenzenesulfonic acid Traditional Name: 3-chloro-2,6-diisocyanato-5-methyl-besylic acid Formula: C9H5ClN2O5S MolecularWeight: 288.6644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N=C=O)S(=O)(=O)O)N=C=O)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1N=C=O)S(=O)(=O)O)N=C=O)Cl

InChI

InChI=1S/C9H5ClN2O5S/c1-5-2-6(10)8(12-4-14)9(18(15,16)17)7(5)11-3-13/h2H,1H3,(H,15,16,17)