3-[1,5-bis(oxidanyl)pentan-2-ylamino]propane-1-sulfonic acid

Systemtic Name: 3-[1,5-bis(oxidanyl)pentan-2-ylamino]propane-1-sulfonic acid Openeye Name: 3-[[4-hydroxy-1-(hydroxymethyl)butyl]amino]propane-1-sulfonic acid CAS Name: 3-(1,5-dihydroxypentan-2-ylamino)-1-propanesulfonic acid IUPAC Name: 3-(1,5-dihydroxypentan-2-ylamino)propane-1-sulfonic acid Traditional Name: 3-[(4-hydroxy-1-methylol-butyl)amino]propane-1-sulfonic acid Formula: C8H19NO5S MolecularWeight: 241.30516

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CO)NCCCS(=O)(=O)O)CO

Isomeric SMILES

C(CC(CO)NCCCS(=O)(=O)O)CO

InChI

InChI=1S/C8H19NO5S/c10-5-1-3-8(7-11)9-4-2-6-15(12,13)14/h8-11H,1-7H2,(H,12,13,14)