4-methylbenzenesulfonic acid; (phenylmethyl) 6-azanylhexanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 6-azanylhexanoate Openeye Name: benzyl 6-aminohexanoate; 4-methylbenzenesulfonic acid CAS Name: 6-aminohexanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 6-aminohexanoate; 4-methylbenzenesulfonic acid Traditional Name: 6-aminohexanoic acid benzyl ester; tosylic acid Formula: C20H27NO5S MolecularWeight: 393.49708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCCCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CCCCCN

InChI

InChI=1S/C13H19NO2.C7H8O3S/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-4,7-8H,2,5-6,9-11,14H2;2-5H,1H3,(H,8,9,10)