1-(2-azanylethyl)benzotriazole-5-sulfonic acid

Systemtic Name: 1-(2-azanylethyl)benzotriazole-5-sulfonic acid Openeye Name: 1-(2-aminoethyl)benzotriazole-5-sulfonic acid CAS Name: 1-(2-aminoethyl)-5-benzotriazolesulfonic acid IUPAC Name: 1-(2-aminoethyl)benzotriazole-5-sulfonic acid Traditional Name: 1-(2-aminoethyl)benzotriazole-5-sulfonic acid Formula: C8H10N4O3S MolecularWeight: 242.255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)N=NN2CCN

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)N=NN2CCN

InChI

InChI=1S/C8H10N4O3S/c9-3-4-12-8-2-1-6(16(13,14)15)5-7(8)10-11-12/h1-2,5H,3-4,9H2,(H,13,14,15)