methyl (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoate

Systemtic Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoate Openeye Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoate CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[[3-(nitrooxymethyl)phenoxy]-oxomethoxy]-2-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenylbut-2-enoate Traditional Name: (Z)-3-(4-mesylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoic acid methyl ester Formula: C26H23NO10S MolecularWeight: 541.52652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(COC(=O)OC1=CC=CC(=C1)CO[N+](=O)[O-])C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C(=C(\COC(=O)OC1=CC=CC(=C1)CO[N+](=O)[O-])/C2=CC=C(C=C2)S(=O)(=O)C)/C3=CC=CC=C3

InChI

InChI=1S/C26H23NO10S/c1-34-25(28)24(20-8-4-3-5-9-20)23(19-11-13-22(14-12-19)38(2,32)33)17-35-26(29)37-21-10-6-7-18(15-21)16-36-27(30)31/h3-15H,16-17H2,1-2H3/b24-23+