(Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoic acid

Systemtic Name: (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-[[3-(nitrooxymethyl)phenoxy]-oxomethoxy]-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methylsulfonylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-mesylphenyl)-4-[3-(nitrooxymethyl)phenoxy]carbonyloxy-2-phenyl-but-2-enoic acid Formula: C25H21NO10S MolecularWeight: 527.49994

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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)OC3=CC=CC(=C3)CO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C(=O)O)/COC(=O)OC3=CC=CC(=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C25H21NO10S/c1-37(32,33)21-12-10-18(11-13-21)22(23(24(27)28)19-7-3-2-4-8-19)16-34-25(29)36-20-9-5-6-17(14-20)15-35-26(30)31/h2-14H,15-16H2,1H3,(H,27,28)/b23-22+