methyl 3-ethyl-2-isocyanatosulfonyl-benzoate

Systemtic Name: methyl 3-ethyl-2-isocyanatosulfonyl-benzoate Openeye Name: methyl 3-ethyl-2-isocyanatosulfonyl-benzoate CAS Name: 3-ethyl-2-isocyanatosulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-ethyl-2-isocyanatosulfonylbenzoate Traditional Name: 3-ethyl-2-isocyanatosulfonyl-benzoic acid methyl ester Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S/c1-3-8-5-4-6-9(11(14)17-2)10(8)18(15,16)12-7-13/h4-6H,3H2,1-2H3