4-methylbenzenesulfonic acid; 1-oxidanylbenzotriazole

Systemtic Name: 4-methylbenzenesulfonic acid; 1-oxidanylbenzotriazole Openeye Name: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxybenzotriazole; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxybenzotriazole; tosylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=NN2O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)N=NN2O

InChI

InChI=1S/C7H8O3S.C6H5N3O/c1-6-2-4-7(5-3-6)11(8,9)10;10-9-6-4-2-1-3-5(6)7-8-9/h2-5H,1H3,(H,8,9,10);1-4,10H