sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonate

Systemtic Name: sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonate Openeye Name: sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonate CAS Name: sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate IUPAC Name: sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate Traditional Name: sodium 5-nitro-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]besylate Formula: C14H9N2NaO10S2 MolecularWeight: 452.34843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O10S2.Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;/h1-8H,(H,21,22,23)(H,24,25,26);/q;+1/p-1/b2-1+;