sodium 4-(2,4-dinitrophenoxy)-3-nitro-benzenesulfonate

Systemtic Name: sodium 4-(2,4-dinitrophenoxy)-3-nitro-benzenesulfonate Openeye Name: sodium 4-(2,4-dinitrophenoxy)-3-nitro-benzenesulfonate CAS Name: sodium 4-(2,4-dinitrophenoxy)-3-nitrobenzenesulfonate IUPAC Name: sodium 4-(2,4-dinitrophenoxy)-3-nitrobenzenesulfonate Traditional Name: sodium 4-(2,4-dinitrophenoxy)-3-nitro-besylate Formula: C12H6N3NaO10S MolecularWeight: 407.24491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C12H7N3O10S.Na/c16-13(17)7-1-3-11(9(5-7)14(18)19)25-12-4-2-8(26(22,23)24)6-10(12)15(20)21;/h1-6H,(H,22,23,24);/q;+1/p-1