benzenesulfonate; 1,5-dimethyl-4-phenyl-1,2,3,4-tetrazol-1-ium

Systemtic Name: benzenesulfonate; 1,5-dimethyl-4-phenyl-1,2,3,4-tetrazol-1-ium Openeye Name: benzenesulfonate; 1,5-dimethyl-4-phenyl-tetrazol-1-ium CAS Name: benzenesulfonate; 1,5-dimethyl-4-phenyltetrazol-1-ium IUPAC Name: benzenesulfonate; 1,5-dimethyl-4-phenyltetrazol-1-ium Traditional Name: 1,5-dimethyl-4-phenyl-tetrazol-1-ium besylate Formula: C15H16N4O3S MolecularWeight: 332.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N=NN1C2=CC=CC=C2)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](N=NN1C2=CC=CC=C2)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11N4.C6H6O3S/c1-8-12(2)10-11-13(8)9-6-4-3-5-7-9;7-10(8,9)6-4-2-1-3-5-6/h3-7H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1