N1,N1-diethyl-2-methyl-benzene-1,4-diamine; 4-methylbenzenesulfonic acid

Systemtic Name: N1,N1-diethyl-2-methyl-benzene-1,4-diamine; 4-methylbenzenesulfonic acid Openeye Name: N1,N1-diethyl-2-methyl-benzene-1,4-diamine; 4-methylbenzenesulfonic acid CAS Name: N1,N1-diethyl-2-methylbenzene-1,4-diamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,1-N-diethyl-2-methylbenzene-1,4-diamine; 4-methylbenzenesulfonic acid Traditional Name: (4-amino-2-methyl-phenyl)-diethyl-amine; tosylic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H18N2.C7H8O3S/c1-4-13(5-2)11-7-6-10(12)8-9(11)3;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,4-5,12H2,1-3H3;2-5H,1H3,(H,8,9,10)