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

Systemtic Name: benzenesulfonic acid; 1,5-dimethyl-3-phenyl-1,2,3,4-tetrazol-1-ium Openeye Name: benzenesulfonic acid; 1,5-dimethyl-3-phenyl-tetrazol-1-ium CAS Name: benzenesulfonic acid; 1,5-dimethyl-3-phenyltetrazol-1-ium IUPAC Name: benzenesulfonic acid; 1,5-dimethyl-3-phenyltetrazol-1-ium Traditional Name: besylic acid; 1,5-dimethyl-3-phenyl-tetrazol-1-ium Formula: C15H17N4O3S+ MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=[N+]1C)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NN(N=[N+]1C)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H11N4.C6H6O3S/c1-8-10-13(11-12(8)2)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;