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2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid

2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid

Systemtic Name:2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
Openeye Name:2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
CAS Name:2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
IUPAC Name:2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
Traditional Name:2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
Formula: C16H10N4O8S2
MolecularWeight: 450.4026
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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-]


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-]


InChI

InChI=1S/C16H10N4O8S2/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)


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