[(E)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 5-nitrooxypentyl carbonate

Systemtic Name: [(E)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 5-nitrooxypentyl carbonate Openeye Name: [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-enyl] 5-nitrooxypentyl carbonate CAS Name: carbonic acid [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] 5-nitrooxypentyl ester IUPAC Name: [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] 5-nitrooxypentyl carbonate Traditional Name: carbonic acid [(E)-4-hydroxy-2-(4-mesylphenyl)-3-phenyl-but-2-enyl] 5-nitrooxypentyl ester Formula: C23H27NO9S MolecularWeight: 493.52678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=C(CO)C2=CC=CC=C2)COC(=O)OCCCCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\CO)/C2=CC=CC=C2)/COC(=O)OCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C23H27NO9S/c1-34(29,30)20-12-10-19(11-13-20)22(21(16-25)18-8-4-2-5-9-18)17-32-23(26)31-14-6-3-7-15-33-24(27)28/h2,4-5,8-13,25H,3,6-7,14-17H2,1H3/b22-21+