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

Systemtic Name: (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-but-2-enoic acid Openeye Name: (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-but-2-enoic acid CAS Name: (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenyl-2-butenoic acid IUPAC Name: (Z)-3-(4-methylsulfonylphenyl)-4-nitrooxy-2-phenylbut-2-enoic acid Traditional Name: (Z)-3-(4-mesylphenyl)-4-nitrooxy-2-phenyl-but-2-enoic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO7S/c1-26(23,24)14-9-7-12(8-10-14)15(11-25-18(21)22)16(17(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b16-15+