(4-hexoxyphenyl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (4-hexoxyphenyl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (4-hexoxyphenyl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-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=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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