2,6-bis(azanyl)hexanoic acid; 4-methylbenzenesulfonic acid

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-methylbenzenesulfonic acid Openeye Name: 2,6-diaminohexanoic acid; 4-methylbenzenesulfonic acid CAS Name: 2,6-diaminohexanoic acid; 4-methylbenzenesulfonic acid IUPAC Name: 2,6-diaminohexanoic acid; 4-methylbenzenesulfonic acid Traditional Name: 2,6-diaminohexanoic acid; tosylic acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C7H8O3S.C6H14N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,8,9,10);5H,1-4,7-8H2,(H,9,10)