disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate

Systemtic Name: disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate Openeye Name: disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate CAS Name: disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate IUPAC Name: disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate Traditional Name: disodium 2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonate Formula: C16H8N4Na2O8S2 MolecularWeight: 494.36626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2N=C3C=CC4=C(C=C(C=C4C3=N2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N2N=C3C=CC4=C(C=C(C=C4C3=N2)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H10N4O8S2.2Na/c21-20(22)10-3-1-9(2-4-10)19-17-14-6-5-12-13(16(14)18-19)7-11(29(23,24)25)8-15(12)30(26,27)28;;/h1-8H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2