[(E)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 6-nitrooxyhexyl carbonate

Systemtic Name: [(E)-2-(4-methylsulfonylphenyl)-4-oxidanyl-3-phenyl-but-2-enyl] 6-nitrooxyhexyl carbonate Openeye Name: [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenyl-but-2-enyl] 6-nitrooxyhexyl carbonate CAS Name: carbonic acid [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] 6-nitrooxyhexyl ester IUPAC Name: [(E)-4-hydroxy-2-(4-methylsulfonylphenyl)-3-phenylbut-2-enyl] 6-nitrooxyhexyl carbonate Traditional Name: carbonic acid [(E)-4-hydroxy-2-(4-mesylphenyl)-3-phenyl-but-2-enyl] 6-nitrooxyhexyl ester Formula: C24H29NO9S MolecularWeight: 507.55336

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)OCCCCCCO[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO9S/c1-35(30,31)21-13-11-20(12-14-21)23(22(17-26)19-9-5-4-6-10-19)18-33-24(27)32-15-7-2-3-8-16-34-25(28)29/h4-6,9-14,26H,2-3,7-8,15-18H2,1H3/b23-22+