(6-chloranylbenzotriazol-1-yl) butane-1-sulfonate

Systemtic Name: (6-chloranylbenzotriazol-1-yl) butane-1-sulfonate Openeye Name: (6-chlorobenzotriazol-1-yl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: (6-chlorobenzotriazol-1-yl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (6-chlorobenzotriazol-1-yl) ester Formula: C10H12ClN3O3S MolecularWeight: 289.73858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)ON1C2=C(C=CC(=C2)Cl)N=N1

Isomeric SMILES

CCCCS(=O)(=O)ON1C2=C(C=CC(=C2)Cl)N=N1

InChI

InChI=1S/C10H12ClN3O3S/c1-2-3-6-18(15,16)17-14-10-7-8(11)4-5-9(10)12-13-14/h4-5,7H,2-3,6H2,1H3