3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-phenyl-1,2,4-triazol-4-ium-1-yl)propane-1-sulfonic acid Formula: C11H14N3O3S+ MolecularWeight: 268.31216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CN(N=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CN(N=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C11H13N3O3S/c15-18(16,17)8-4-7-14-10-13(9-12-14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/p+1