4-methylbenzenesulfonic acid; 2-phenoxyethanamine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-phenoxyethanamine Openeye Name: 4-methylbenzenesulfonic acid; 2-phenoxyethanamine CAS Name: 4-methylbenzenesulfonic acid; 2-phenoxyethanamine IUPAC Name: 4-methylbenzenesulfonic acid; 2-phenoxyethanamine Traditional Name: 2-phenoxyethylamine; tosylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO.C7H8O3S/c9-6-7-10-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,9H2;2-5H,1H3,(H,8,9,10)