2-nitrobutyl 4-methylbenzenesulfonate

Systemtic Name: 2-nitrobutyl 4-methylbenzenesulfonate Openeye Name: 2-nitrobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-nitrobutyl ester IUPAC Name: 2-nitrobutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-nitrobutyl ester Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C11H15NO5S/c1-3-10(12(13)14)8-17-18(15,16)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3