benzenesulfonic acid; N,N-diethylethanamine

Systemtic Name: benzenesulfonic acid; N,N-diethylethanamine Openeye Name: benzenesulfonic acid; N,N-diethylethanamine CAS Name: benzenesulfonic acid; N,N-diethylethanamine IUPAC Name: benzenesulfonic acid; N,N-diethylethanamine Traditional Name: besylic acid; triethylamine Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C6H15N.C6H6O3S/c1-4-7(5-2)6-3;7-10(8,9)6-4-2-1-3-5-6/h4-6H2,1-3H3;1-5H,(H,7,8,9)