2-sulfooxy-3-[2,4,6-tris(oxidanylidene)-5-prop-2-enyl-1,3-diazinan-5-yl]propane-1-sulfonic acid

Systemtic Name: 2-sulfooxy-3-[2,4,6-tris(oxidanylidene)-5-prop-2-enyl-1,3-diazinan-5-yl]propane-1-sulfonic acid Openeye Name: 3-(5-allyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)-2-sulfooxy-propane-1-sulfonic acid CAS Name: 2-sulfooxy-3-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)-1-propanesulfonic acid IUPAC Name: 2-sulfooxy-3-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propane-1-sulfonic acid Traditional Name: 3-(5-allyl-2,4,6-triketo-hexahydropyrimidin-5-yl)-2-sulfoxy-propane-1-sulfonic acid Formula: C10H14N2O10S2 MolecularWeight: 386.35556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=O)NC1=O)CC(CS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C=CCC1(C(=O)NC(=O)NC1=O)CC(CS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C10H14N2O10S2/c1-2-3-10(7(13)11-9(15)12-8(10)14)4-6(5-23(16,17)18)22-24(19,20)21/h2,6H,1,3-5H2,(H,16,17,18)(H,19,20,21)(H2,11,12,13,14,15)