(4-hexoxyphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-hexoxyphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (4-hexoxyphenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (4-hexoxyphenyl) ester Formula: C18H20ClNO6S MolecularWeight: 413.8725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO6S/c1-2-3-4-5-12-25-14-6-8-15(9-7-14)26-27(23,24)16-10-11-17(19)18(13-16)20(21)22/h6-11,13H,2-5,12H2,1H3