1-(2H-benzotriazol-4-yl)ethanesulfonic acid

Systemtic Name: 1-(2H-benzotriazol-4-yl)ethanesulfonic acid Openeye Name: 1-(2H-benzotriazol-4-yl)ethanesulfonic acid CAS Name: 1-(2H-benzotriazol-4-yl)ethanesulfonic acid IUPAC Name: 1-(2H-benzotriazol-4-yl)ethanesulfonic acid Traditional Name: 1-(2H-benzotriazol-4-yl)ethanesulfonic acid Formula: C8H9N3O3S MolecularWeight: 227.24036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=NNN=C21)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=CC2=NNN=C21)S(=O)(=O)O

InChI

InChI=1S/C8H9N3O3S/c1-5(15(12,13)14)6-3-2-4-7-8(6)10-11-9-7/h2-5H,1H3,(H,9,10,11)(H,12,13,14)