3-(benzotriazol-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(benzotriazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(benzotriazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(2-benzotriazolyl)-1-propanesulfonic acid IUPAC Name: 3-(benzotriazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(benzotriazol-2-yl)propane-1-sulfonic acid Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O3S/c13-16(14,15)7-3-6-12-10-8-4-1-2-5-9(8)11-12/h1-2,4-5H,3,6-7H2,(H,13,14,15)