sodium 2-(4-nitrophenyl)benzo[e]benzotriazole-5-sulfonate

Systemtic Name: sodium 2-(4-nitrophenyl)benzo[e]benzotriazole-5-sulfonate Openeye Name: sodium 2-(4-nitrophenyl)benzo[e]benzotriazole-5-sulfonate CAS Name: sodium 2-(4-nitrophenyl)-5-benzo[e]benzotriazolesulfonate IUPAC Name: sodium 2-(4-nitrophenyl)benzo[e]benzotriazole-5-sulfonate Traditional Name: sodium 2-(4-nitrophenyl)benzo[e]benzotriazole-5-sulfonate Formula: C16H9N4NaO5S MolecularWeight: 392.32123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=NN(N=C23)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H10N4O5S.Na/c21-20(22)11-7-5-10(6-8-11)19-17-14-9-15(26(23,24)25)12-3-1-2-4-13(12)16(14)18-19;/h1-9H,(H,23,24,25);/q;+1/p-1