2H-benzotriazole; N,N-diethylethanamine; 4-methylbenzenesulfonic acid

Systemtic Name: 2H-benzotriazole; N,N-diethylethanamine; 4-methylbenzenesulfonic acid Openeye Name: 2H-benzotriazole; N,N-diethylethanamine; 4-methylbenzenesulfonic acid CAS Name: 2H-benzotriazole; N,N-diethylethanamine; 4-methylbenzenesulfonic acid IUPAC Name: 2H-benzotriazole; N,N-diethylethanamine; 4-methylbenzenesulfonic acid Traditional Name: 2H-benzotriazole; tosylic acid; triethylamine Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H5N3.C6H15N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5(3-1)7-9-8-6;1-4-7(5-2)6-3/h2-5H,1H3,(H,8,9,10);1-4H,(H,7,8,9);4-6H2,1-3H3