ethyl 3-ethyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: ethyl 3-ethyl-2-isocyanatosulfonyl-benzoate Openeye Name: ethyl 3-ethyl-2-isocyanatosulfonyl-benzoate CAS Name: 3-ethyl-2-isocyanatosulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-isocyanatosulfonylbenzoate Traditional Name: 3-ethyl-2-isocyanatosulfonyl-benzoic acid ethyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-3-9-6-5-7-10(12(15)18-4-2)11(9)19(16,17)13-8-14/h5-7H,3-4H2,1-2H3