4-methylbenzenesulfonic acid; 2H-1,2,3-triazole

Systemtic Name: 4-methylbenzenesulfonic acid; 2H-1,2,3-triazole Openeye Name: 4-methylbenzenesulfonic acid; 2H-triazole CAS Name: 4-methylbenzenesulfonic acid; 2H-triazole IUPAC Name: 4-methylbenzenesulfonic acid; 2H-triazole Traditional Name: tosylic acid; 2H-triazole Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.C2H3N3/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1/h2*2-5H,1H3,(H,8,9,10);1-2H,(H,3,4,5)