3-nitrobenzenesulfonic acid; pyridin-1-ium

Systemtic Name: 3-nitrobenzenesulfonic acid; pyridin-1-ium Openeye Name: 3-nitrobenzenesulfonic acid; pyridin-1-ium CAS Name: 3-nitrobenzenesulfonic acid; pyridin-1-ium IUPAC Name: 3-nitrobenzenesulfonic acid; pyridin-1-ium Traditional Name: 3-nitrobesylic acid; pyridin-1-ium Formula: C11H11N2O5S+ MolecularWeight: 283.28044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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