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

Systemtic Name: (4-hexoxyphenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (4-hexoxyphenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (4-hexoxyphenyl) ester Formula: C19H23NO6S MolecularWeight: 393.45402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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