4-nitrobenzenesulfonate; pyridin-1-ium

Systemtic Name: 4-nitrobenzenesulfonate; pyridin-1-ium Openeye Name: 4-nitrobenzenesulfonate; pyridin-1-ium CAS Name: 4-nitrobenzenesulfonate; pyridin-1-ium IUPAC Name: 4-nitrobenzenesulfonate; pyridin-1-ium Traditional Name: 4-nitrobesylate; pyridin-1-ium Formula: C11H10N2O5S MolecularWeight: 282.2725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C6H5NO5S.C5H5N/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;1-2-4-6-5-3-1/h1-4H,(H,10,11,12);1-5H