N,N-diethylethanamine; 4-methylbenzenesulfonate

Systemtic Name: N,N-diethylethanamine; 4-methylbenzenesulfonate Openeye Name: N,N-diethylethanamine; 4-methylbenzenesulfonate CAS Name: N,N-diethylethanamine; 4-methylbenzenesulfonate IUPAC Name: N,N-diethylethanamine; 4-methylbenzenesulfonate Traditional Name: triethylamine tosylate Formula: C13H22NO3S- MolecularWeight: 272.38368

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

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