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

Systemtic Name: (4-hexoxyphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-hexoxyphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-hexoxyphenyl) ester Formula: C19H23NO6S MolecularWeight: 393.45402

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO6S/c1-3-4-5-6-13-25-17-9-11-18(12-10-17)26-27(23,24)19-14-16(20(21)22)8-7-15(19)2/h7-12,14H,3-6,13H2,1-2H3