1H-1,2-diazepine; 4-methylbenzenesulfonic acid

Systemtic Name: 1H-1,2-diazepine; 4-methylbenzenesulfonic acid Openeye Name: 1H-diazepine; 4-methylbenzenesulfonic acid CAS Name: 1H-diazepine; 4-methylbenzenesulfonic acid IUPAC Name: 1H-diazepine; 4-methylbenzenesulfonic acid Traditional Name: 1H-diazepine; tosylic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H6N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-7-5-3-1/h2-5H,1H3,(H,8,9,10);1-6H