5-azanyl-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate

Systemtic Name: 5-azanyl-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: 5-amino-2-[(E)-2-(4-nitro-2-sulfonato-phenyl)vinyl]besylate Formula: C14H10N2O8S2-2 MolecularWeight: 398.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N2O8S2/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)/p-2/b2-1+