5-nitro-2-pyrrolidin-2-yl-benzenesulfonic acid

Systemtic Name: 5-nitro-2-pyrrolidin-2-yl-benzenesulfonic acid Openeye Name: 5-nitro-2-pyrrolidin-2-yl-benzenesulfonic acid CAS Name: 5-nitro-2-(2-pyrrolidinyl)benzenesulfonic acid IUPAC Name: 5-nitro-2-pyrrolidin-2-ylbenzenesulfonic acid Traditional Name: 5-nitro-2-pyrrolidin-2-yl-besylic acid Formula: C10H12N2O5S MolecularWeight: 272.27768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1CC(NC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H12N2O5S/c13-12(14)7-3-4-8(9-2-1-5-11-9)10(6-7)18(15,16)17/h3-4,6,9,11H,1-2,5H2,(H,15,16,17)