[2-phenyl-4-(2-phenyl-5-sulfooxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] hydrogen sulfate

Systemtic Name: [2-phenyl-4-(2-phenyl-5-sulfooxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] hydrogen sulfate Openeye Name: [2-phenyl-4-(2-phenyl-5-sulfooxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] hydrogen sulfate CAS Name: sulfuric acid [2-phenyl-4-(2-phenyl-5-sulfooxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] ester IUPAC Name: [2-phenyl-4-(2-phenyl-5-sulfooxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-phenyl-4-(2-phenyl-5-sulfoxy-1,3-dioxan-4-yl)-1,3-dioxan-5-yl] ester Formula: C20H22O12S2 MolecularWeight: 518.51148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2)C3C(COC(O3)C4=CC=CC=C4)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1C(C(OC(O1)C2=CC=CC=C2)C3C(COC(O3)C4=CC=CC=C4)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H22O12S2/c21-33(22,23)31-15-11-27-19(13-7-3-1-4-8-13)29-17(15)18-16(32-34(24,25)26)12-28-20(30-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2,(H,21,22,23)(H,24,25,26)