4-methylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine Openeye Name: 4-methylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine CAS Name: 4-methylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-(3-methylphenoxy)ethanamine Traditional Name: 2-(3-methylphenoxy)ethylamine; tosylic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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