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

Systemtic Name: (2-octyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate Openeye Name: (2-octyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-octyl-1,3-dioxan-5-yl) ester IUPAC Name: (2-octyl-1,3-dioxan-5-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-octyl-1,3-dioxan-5-yl) ester Formula: C18H27NO7S MolecularWeight: 401.47448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1OCC(CO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1OCC(CO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27NO7S/c1-2-3-4-5-6-7-8-18-24-13-16(14-25-18)26-27(22,23)17-11-9-15(10-12-17)19(20)21/h9-12,16,18H,2-8,13-14H2,1H3