pentan-2-yl 4-nitrobenzenesulfonate

Systemtic Name: pentan-2-yl 4-nitrobenzenesulfonate Openeye Name: 1-methylbutyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 1-methylbutyl ester Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO5S/c1-3-4-9(2)17-18(15,16)11-7-5-10(6-8-11)12(13)14/h5-9H,3-4H2,1-2H3