propan-2-yl 2-(2,4-dinitrophenyl)sulfonylethanoate

Systemtic Name: propan-2-yl 2-(2,4-dinitrophenyl)sulfonylethanoate Openeye Name: isopropyl 2-(2,4-dinitrophenyl)sulfonylacetate CAS Name: 2-(2,4-dinitrophenyl)sulfonylacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2,4-dinitrophenyl)sulfonylacetate Traditional Name: 2-(2,4-dinitrophenyl)sulfonylacetic acid isopropyl ester Formula: C11H12N2O8S MolecularWeight: 332.28658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O8S/c1-7(2)21-11(14)6-22(19,20)10-4-3-8(12(15)16)5-9(10)13(17)18/h3-5,7H,6H2,1-2H3