2,5-diethylpyridine; 4-methylbenzenesulfonic acid

Systemtic Name: 2,5-diethylpyridine; 4-methylbenzenesulfonic acid Openeye Name: 2,5-diethylpyridine; 4-methylbenzenesulfonic acid CAS Name: 2,5-diethylpyridine; 4-methylbenzenesulfonic acid IUPAC Name: 2,5-diethylpyridine; 4-methylbenzenesulfonic acid Traditional Name: 2,5-diethylpyridine; tosylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)CC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H13N.C7H8O3S/c1-3-8-5-6-9(4-2)10-7-8;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,3-4H2,1-2H3;2-5H,1H3,(H,8,9,10)