3-azanyl-2-(hydroxymethyl)-1,4-bis(oxidanyl)butane-2-sulfonic acid

Systemtic Name: 3-azanyl-2-(hydroxymethyl)-1,4-bis(oxidanyl)butane-2-sulfonic acid Openeye Name: 3-amino-1,4-dihydroxy-2-(hydroxymethyl)butane-2-sulfonic acid CAS Name: 3-amino-1,4-dihydroxy-2-(hydroxymethyl)-2-butanesulfonic acid IUPAC Name: 3-amino-1,4-dihydroxy-2-(hydroxymethyl)butane-2-sulfonic acid Traditional Name: 3-amino-1,4-dihydroxy-2-methylol-butane-2-sulfonic acid Formula: C5H13NO6S MolecularWeight: 215.22482

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(CO)(CO)S(=O)(=O)O)N)O

Isomeric SMILES

C(C(C(CO)(CO)S(=O)(=O)O)N)O

InChI

InChI=1S/C5H13NO6S/c6-4(1-7)5(2-8,3-9)13(10,11)12/h4,7-9H,1-3,6H2,(H,10,11,12)