(2-phenyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-phenyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate Openeye Name: (2-phenyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-phenyl-1,3-dioxan-5-yl) ester IUPAC Name: (2-phenyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-phenyl-1,3-dioxan-5-yl) ester Formula: C16H15NO7S MolecularWeight: 365.3578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(COC(O1)C2=CC=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO7S/c18-17(19)13-6-8-15(9-7-13)25(20,21)24-14-10-22-16(23-11-14)12-4-2-1-3-5-12/h1-9,14,16H,10-11H2