oxetan-2-yl 2-isocyanatosulfonyl-3-methyl-benzoate

Systemtic Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methyl-benzoate Openeye Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methyl-benzoate CAS Name: 2-isocyanatosulfonyl-3-methylbenzoic acid 2-oxetanyl ester IUPAC Name: oxetan-2-yl 2-isocyanatosulfonyl-3-methylbenzoate Traditional Name: 2-isocyanatosulfonyl-3-methyl-benzoic acid oxetan-2-yl ester Formula: C12H11NO6S MolecularWeight: 297.28384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

Isomeric SMILES

CC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

InChI

InChI=1S/C12H11NO6S/c1-8-3-2-4-9(11(8)20(16,17)13-7-14)12(15)19-10-5-6-18-10/h2-4,10H,5-6H2,1H3