(4-cyclohexylphenyl) 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: (4-cyclohexylphenyl) 4-methoxy-3-nitro-benzenesulfonate Openeye Name: (4-cyclohexylphenyl) 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid (4-cyclohexylphenyl) ester Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S/c1-25-19-12-11-17(13-18(19)20(21)22)27(23,24)26-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3