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

Systemtic Name: (4-cyclohexylphenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (4-cyclohexylphenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (4-cyclohexylphenyl) ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO5S/c1-14-7-12-18(13-19(14)20(21)22)26(23,24)25-17-10-8-16(9-11-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3