3-sulfanylpropanoic acid; 1,3,5-triazinane-2,4,6-trione

Systemtic Name: 3-sulfanylpropanoic acid; 1,3,5-triazinane-2,4,6-trione Openeye Name: 3-sulfanylpropanoic acid; 1,3,5-triazinane-2,4,6-trione CAS Name: 3-mercaptopropanoic acid; 1,3,5-triazinane-2,4,6-trione IUPAC Name: 3-sulfanylpropanoic acid; 1,3,5-triazinane-2,4,6-trione Traditional Name: isocyanuric acid; 3-mercaptopropionic acid Formula: C12H21N3O9S3 MolecularWeight: 447.50484

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C1(=O)NC(=O)NC(=O)N1

Isomeric SMILES

C(CS)C(=O)O.C(CS)C(=O)O.C(CS)C(=O)O.C1(=O)NC(=O)NC(=O)N1

InChI

InChI=1S/C3H3N3O3.3C3H6O2S/c7-1-4-2(8)6-3(9)5-1;3*4-3(5)1-2-6/h(H3,4,5,6,7,8,9);3*6H,1-2H2,(H,4,5)