1H-benzotriazol-1-ium; 4-tert-butylbenzenesulfonate

Systemtic Name: 1H-benzotriazol-1-ium; 4-tert-butylbenzenesulfonate Openeye Name: 1H-benzotriazol-1-ium; 4-tert-butylbenzenesulfonate CAS Name: 1H-benzotriazol-1-ium; 4-tert-butylbenzenesulfonate IUPAC Name: 1H-benzotriazol-1-ium; 4-tert-butylbenzenesulfonate Traditional Name: 1H-benzotriazol-1-ium; 4-tert-butylbesylate Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH2+]N=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)[NH2+]N=N2

InChI

InChI=1S/C10H14O3S.C6H5N3/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-2-4-6-5(3-1)7-9-8-6/h4-7H,1-3H3,(H,11,12,13);1-4H,(H,7,8,9)