(4-hexoxyphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (4-hexoxyphenyl) 3-nitrobenzenesulfonate Openeye Name: (4-hexoxyphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO6S/c1-2-3-4-5-13-24-16-9-11-17(12-10-16)25-26(22,23)18-8-6-7-15(14-18)19(20)21/h6-12,14H,2-5,13H2,1H3