calcium 2-chloranyl-5-(4-nitrophenyl)sulfonyl-benzenesulfonate

Systemtic Name: calcium 2-chloranyl-5-(4-nitrophenyl)sulfonyl-benzenesulfonate Openeye Name: calcium 2-chloro-5-(4-nitrophenyl)sulfonyl-benzenesulfonate CAS Name: calcium 2-chloro-5-(4-nitrophenyl)sulfonylbenzenesulfonate IUPAC Name: calcium 2-chloro-5-(4-nitrophenyl)sulfonylbenzenesulfonate Traditional Name: calcium 2-chloro-5-nosyl-besylate Formula: C24H14CaCl2N2O14S4 MolecularWeight: 793.61696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H8ClNO7S2.Ca/c2*13-11-6-5-10(7-12(11)23(19,20)21)22(17,18)9-3-1-8(2-4-9)14(15)16;/h2*1-7H,(H,19,20,21);/q;;+2/p-2