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

Systemtic Name: N-(2-methoxyethyl)aniline; 4-methylbenzenesulfonic acid Openeye Name: N-(2-methoxyethyl)aniline; 4-methylbenzenesulfonic acid CAS Name: N-(2-methoxyethyl)aniline; 4-methylbenzenesulfonic acid IUPAC Name: N-(2-methoxyethyl)aniline; 4-methylbenzenesulfonic acid Traditional Name: 2-methoxyethyl(phenyl)amine; tosylic acid Formula: C23H29NO7S2 MolecularWeight: 495.60886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.COCCNC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.COCCNC1=CC=CC=C1

InChI

InChI=1S/C9H13NO.2C7H8O3S/c1-11-8-7-10-9-5-3-2-4-6-9;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-6,10H,7-8H2,1H3;2*2-5H,1H3,(H,8,9,10)