4-(benzotriazol-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(benzotriazol-1-yl)butane-1-sulfonic acid Openeye Name: 4-(benzotriazol-1-yl)butane-1-sulfonic acid CAS Name: 4-(1-benzotriazolyl)-1-butanesulfonic acid IUPAC Name: 4-(benzotriazol-1-yl)butane-1-sulfonic acid Traditional Name: 4-(benzotriazol-1-yl)butane-1-sulfonic acid Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCCCS(=O)(=O)O

InChI

InChI=1S/C10H13N3O3S/c14-17(15,16)8-4-3-7-13-10-6-2-1-5-9(10)11-12-13/h1-2,5-6H,3-4,7-8H2,(H,14,15,16)