oxetan-2-yl 3-bromanyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: oxetan-2-yl 3-bromanyl-2-isocyanatosulfonyl-benzoate Openeye Name: oxetan-2-yl 3-bromo-2-isocyanatosulfonyl-benzoate CAS Name: 3-bromo-2-isocyanatosulfonylbenzoic acid 2-oxetanyl ester IUPAC Name: oxetan-2-yl 3-bromo-2-isocyanatosulfonylbenzoate Traditional Name: 3-bromo-2-isocyanatosulfonyl-benzoic acid oxetan-2-yl ester Formula: C11H8BrNO6S MolecularWeight: 362.15332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC1OC(=O)C2=C(C(=CC=C2)Br)S(=O)(=O)N=C=O

Isomeric SMILES

C1COC1OC(=O)C2=C(C(=CC=C2)Br)S(=O)(=O)N=C=O

InChI

InChI=1S/C11H8BrNO6S/c12-8-3-1-2-7(10(8)20(16,17)13-6-14)11(15)19-9-4-5-18-9/h1-3,9H,4-5H2