(Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[5-nitrooxypentoxy(oxo)methoxy]-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methylsulfonylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-mesylphenyl)-4-(5-nitrooxypentoxycarbonyloxy)-2-phenyl-but-2-enoic acid Formula: C23H25NO10S MolecularWeight: 507.5103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO10S/c1-35(30,31)19-12-10-17(11-13-19)20(21(22(25)26)18-8-4-2-5-9-18)16-33-23(27)32-14-6-3-7-15-34-24(28)29/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,25,26)/b21-20+