N-ethyl-N-(2-methoxyethyl)-2-methyl-aniline; 4-methylbenzenesulfonic acid

Systemtic Name: N-ethyl-N-(2-methoxyethyl)-2-methyl-aniline; 4-methylbenzenesulfonic acid Openeye Name: N-ethyl-N-(2-methoxyethyl)-2-methyl-aniline; 4-methylbenzenesulfonic acid CAS Name: N-ethyl-N-(2-methoxyethyl)-2-methylaniline; 4-methylbenzenesulfonic acid IUPAC Name: N-ethyl-N-(2-methoxyethyl)-2-methylaniline; 4-methylbenzenesulfonic acid Traditional Name: ethyl-(2-methoxyethyl)-(o-tolyl)amine; tosylic acid Formula: C26H35NO7S2 MolecularWeight: 537.6886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC)C1=CC=CC=C1C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CCOC)C1=CC=CC=C1C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H19NO.2C7H8O3S/c1-4-13(9-10-14-3)12-8-6-5-7-11(12)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9-10H2,1-3H3;2*2-5H,1H3,(H,8,9,10)