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

Systemtic Name: 4-azanylbenzenesulfonic acid; 2,6-bis(azanyl)hexanoic acid Openeye Name: 4-aminobenzenesulfonic acid; 2,6-diaminohexanoic acid CAS Name: 4-aminobenzenesulfonic acid; 2,6-diaminohexanoic acid IUPAC Name: 4-aminobenzenesulfonic acid; 2,6-diaminohexanoic acid Traditional Name: 4-aminobesylic acid; 2,6-diaminohexanoic acid Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C6H14N2O2.C6H7NO3S/c7-4-2-1-3-5(8)6(9)10;7-5-1-3-6(4-2-5)11(8,9)10/h5H,1-4,7-8H2,(H,9,10);1-4H,7H2,(H,8,9,10)