8-(benzotriazol-2-yl)octane-1-sulfonic acid

Systemtic Name: 8-(benzotriazol-2-yl)octane-1-sulfonic acid Openeye Name: 8-(benzotriazol-2-yl)octane-1-sulfonic acid CAS Name: 8-(2-benzotriazolyl)-1-octanesulfonic acid IUPAC Name: 8-(benzotriazol-2-yl)octane-1-sulfonic acid Traditional Name: 8-(benzotriazol-2-yl)octane-1-sulfonic acid Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)CCCCCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)CCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C14H21N3O3S/c18-21(19,20)12-8-4-2-1-3-7-11-17-15-13-9-5-6-10-14(13)16-17/h5-6,9-10H,1-4,7-8,11-12H2,(H,18,19,20)