sodium 2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-3-sulfanyl-propanoate

Systemtic Name: sodium 2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]-3-sulfanyl-propanoate Openeye Name: sodium 2-(2,3,4,5,6-pentahydroxyhexylamino)-3-sulfanyl-propanoate CAS Name: sodium 3-mercapto-2-(2,3,4,5,6-pentahydroxyhexylamino)propanoate IUPAC Name: sodium 2-(2,3,4,5,6-pentahydroxyhexylamino)-3-sulfanylpropanoate Traditional Name: sodium 3-mercapto-2-(2,3,4,5,6-pentahydroxyhexylamino)propionate Formula: C9H18NNaO7S MolecularWeight: 307.29649

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(CO)O)O)O)O)NC(CS)C(=O)[O-].[Na+]

Isomeric SMILES

C(C(C(C(C(CO)O)O)O)O)NC(CS)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H19NO7S.Na/c11-2-6(13)8(15)7(14)5(12)1-10-4(3-18)9(16)17;/h4-8,10-15,18H,1-3H2,(H,16,17);/q;+1/p-1