2-nitropropyl 3,4-dimethylbenzenesulfonate

Systemtic Name: 2-nitropropyl 3,4-dimethylbenzenesulfonate Openeye Name: 2-nitropropyl 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid 2-nitropropyl ester IUPAC Name: 2-nitropropyl 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid 2-nitropropyl ester Formula: C11H15NO5S MolecularWeight: 273.3055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCC(C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCC(C)[N+](=O)[O-])C

InChI

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