oxetan-2-yl 3-ethyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: oxetan-2-yl 3-ethyl-2-isocyanatosulfonyl-benzoate Openeye Name: oxetan-2-yl 3-ethyl-2-isocyanatosulfonyl-benzoate CAS Name: 3-ethyl-2-isocyanatosulfonylbenzoic acid 2-oxetanyl ester IUPAC Name: oxetan-2-yl 3-ethyl-2-isocyanatosulfonylbenzoate Traditional Name: 3-ethyl-2-isocyanatosulfonyl-benzoic acid oxetan-2-yl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

Isomeric SMILES

CCC1=CC=CC(=C1S(=O)(=O)N=C=O)C(=O)OC2CCO2

InChI

InChI=1S/C13H13NO6S/c1-2-9-4-3-5-10(12(9)21(17,18)14-8-15)13(16)20-11-6-7-19-11/h3-5,11H,2,6-7H2,1H3