N-(2-methoxyethyl)-3-methyl-aniline; 4-methylbenzenesulfonic acid

Systemtic Name: N-(2-methoxyethyl)-3-methyl-aniline; 4-methylbenzenesulfonic acid Openeye Name: N-(2-methoxyethyl)-3-methyl-aniline; 4-methylbenzenesulfonic acid CAS Name: N-(2-methoxyethyl)-3-methylaniline; 4-methylbenzenesulfonic acid IUPAC Name: N-(2-methoxyethyl)-3-methylaniline; 4-methylbenzenesulfonic acid Traditional Name: 2-methoxyethyl(m-tolyl)amine; tosylic acid Formula: C24H31NO7S2 MolecularWeight: 509.63544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC=C1)NCCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC=C1)NCCOC

InChI

InChI=1S/C10H15NO.2C7H8O3S/c1-9-4-3-5-10(8-9)11-6-7-12-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8,11H,6-7H2,1-2H3;2*2-5H,1H3,(H,8,9,10)