Synonyms
SCHEMBL718311; ANW-37833; P0941; AKOS015833386; Pyridinium 3-nitrobenzenesulfonate; CTK3E6393;
IUPAC Name
3-nitrobenzenesulfonate;pyridin-1-ium;
Molecular Weight
282.27g/mol
Molecular Formula
C11H10N2O5S;
Canonical 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;
InChI Key
WZZFZXZRKPNZOC-UHFFFAOYSA-N;
Complexity
305
Covalently-Bonded Unit Count
2
Exact Mass
282.031g/mol
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
19
Monoisotopic Mass
282.031g/mol
Topological Polar Surface Area
126A^2
