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6-nitro-2H-benzotriazole-4-sulfonic acid

6-nitro-2H-benzotriazole-4-sulfonic acid

Systemtic Name:6-nitro-2H-benzotriazole-4-sulfonic acid
Openeye Name:6-nitro-2H-benzotriazole-4-sulfonic acid
CAS Name:6-nitro-2H-benzotriazole-4-sulfonic acid
IUPAC Name:6-nitro-2H-benzotriazole-4-sulfonic acid
Traditional Name:6-nitro-2H-benzotriazole-4-sulfonic acid
Formula: C6H4N4O5S
MolecularWeight: 244.18476
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=NNN=C21)S(=O)(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C2=NNN=C21)S(=O)(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C6H4N4O5S/c11-10(12)3-1-4-6(8-9-7-4)5(2-3)16(13,14)15/h1-2H,(H,7,8,9)(H,13,14,15)


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