calcium N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide

Systemtic Name: calcium N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Openeye Name: calcium N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide CAS Name: calcium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide IUPAC Name: calcium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide Traditional Name: calcium N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Formula: C13H12CaN2O5S+2 MolecularWeight: 348.38778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2.[Ca+2]

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2.[Ca+2]

InChI

InChI=1S/C13H12N2O5S.Ca/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h2-9,14H,1H3;/q;+2