2H-benzotriazole; 4-methylbenzenesulfonic acid

Systemtic Name: 2H-benzotriazole; 4-methylbenzenesulfonic acid Openeye Name: 2H-benzotriazole; 4-methylbenzenesulfonic acid CAS Name: 2H-benzotriazole; 4-methylbenzenesulfonic acid IUPAC Name: 2H-benzotriazole; 4-methylbenzenesulfonic acid Traditional Name: 2H-benzotriazole; tosylic acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=NNN=C2C=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=NNN=C2C=C1

InChI

InChI=1S/C7H8O3S.C6H5N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5(3-1)7-9-8-6/h2-5H,1H3,(H,8,9,10);1-4H,(H,7,8,9)