1,4-bis(azanyl)-5-oxidanyl-3-oxidanylidene-hexane-2-sulfonic acid

Systemtic Name: 1,4-bis(azanyl)-5-oxidanyl-3-oxidanylidene-hexane-2-sulfonic acid Openeye Name: 1,4-diamino-5-hydroxy-3-oxo-hexane-2-sulfonic acid CAS Name: 1,4-diamino-5-hydroxy-3-oxo-2-hexanesulfonic acid IUPAC Name: 1,4-diamino-5-hydroxy-3-oxohexane-2-sulfonic acid Traditional Name: 1,4-diamino-5-hydroxy-3-keto-hexane-2-sulfonic acid Formula: C6H14N2O5S MolecularWeight: 226.25076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(CN)S(=O)(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)C(CN)S(=O)(=O)O)N)O

InChI

InChI=1S/C6H14N2O5S/c1-3(9)5(8)6(10)4(2-7)14(11,12)13/h3-5,9H,2,7-8H2,1H3,(H,11,12,13)