sodium 3-nitro-4-(4-nitrophenoxy)benzenesulfonate

Systemtic Name: sodium 3-nitro-4-(4-nitrophenoxy)benzenesulfonate Openeye Name: sodium 3-nitro-4-(4-nitrophenoxy)benzenesulfonate CAS Name: sodium 3-nitro-4-(4-nitrophenoxy)benzenesulfonate IUPAC Name: sodium 3-nitro-4-(4-nitrophenoxy)benzenesulfonate Traditional Name: sodium 3-nitro-4-(4-nitrophenoxy)besylate Formula: C12H7N2NaO8S MolecularWeight: 362.24735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O8S.Na/c15-13(16)8-1-3-9(4-2-8)22-12-6-5-10(23(19,20)21)7-11(12)14(17)18;/h1-7H,(H,19,20,21);/q;+1/p-1