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

Systemtic Name: 3-[1-cyclohexyl-2,4,6-tris(oxidanylidene)-5-prop-2-enyl-1,3-diazinan-5-yl]-2-sulfooxy-propane-1-sulfonic acid Openeye Name: 3-(5-allyl-1-cyclohexyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)-2-sulfooxy-propane-1-sulfonic acid CAS Name: 3-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)-2-sulfooxy-1-propanesulfonic acid IUPAC Name: 3-(1-cyclohexyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)-2-sulfooxypropane-1-sulfonic acid Traditional Name: 3-(5-allyl-1-cyclohexyl-2,4,6-triketo-hexahydropyrimidin-5-yl)-2-sulfoxy-propane-1-sulfonic acid Formula: C16H24N2O10S2 MolecularWeight: 468.49916

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC(CS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C=CCC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC(CS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H24N2O10S2/c1-2-8-16(9-12(10-29(22,23)24)28-30(25,26)27)13(19)17-15(21)18(14(16)20)11-6-4-3-5-7-11/h2,11-12H,1,3-10H2,(H,17,19,21)(H,22,23,24)(H,25,26,27)