2-azanyl-3-sulfanyl-propanoic acid; hexane-1,2,3,4,5,6-hexol

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; hexane-1,2,3,4,5,6-hexol Openeye Name: 2-amino-3-sulfanyl-propanoic acid; hexane-1,2,3,4,5,6-hexol CAS Name: 2-amino-3-mercaptopropanoic acid; hexane-1,2,3,4,5,6-hexol IUPAC Name: 2-amino-3-sulfanylpropanoic acid; hexane-1,2,3,4,5,6-hexol Traditional Name: 2-amino-3-mercapto-propionic acid; hexane-1,2,3,4,5,6-hexol Formula: C9H21NO8S MolecularWeight: 303.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O6.C3H7NO2S/c7-1-3(9)5(11)6(12)4(10)2-8;4-2(1-7)3(5)6/h3-12H,1-2H2;2,7H,1,4H2,(H,5,6)