propan-2-yl 3-ethyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: propan-2-yl 3-ethyl-2-isocyanatosulfonyl-benzoate Openeye Name: isopropyl 3-ethyl-2-isocyanatosulfonyl-benzoate CAS Name: 3-ethyl-2-isocyanatosulfonylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-2-isocyanatosulfonylbenzoate Traditional Name: 3-ethyl-2-isocyanatosulfonyl-benzoic acid isopropyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-4-10-6-5-7-11(13(16)19-9(2)3)12(10)20(17,18)14-8-15/h5-7,9H,4H2,1-3H3