hexyl 6-azanylhexanoate; 4-methylbenzenesulfonic acid

Systemtic Name: hexyl 6-azanylhexanoate; 4-methylbenzenesulfonic acid Openeye Name: hexyl 6-aminohexanoate; 4-methylbenzenesulfonic acid CAS Name: 6-aminohexanoic acid hexyl ester; 4-methylbenzenesulfonic acid IUPAC Name: hexyl 6-aminohexanoate; 4-methylbenzenesulfonic acid Traditional Name: 6-aminohexanoic acid hexyl ester; tosylic acid Formula: C19H33NO5S MolecularWeight: 387.53402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)