2-(2,4-dinitrophenyl)sulfonyloxy-4-phenyl-butanoic acid

Systemtic Name: 2-(2,4-dinitrophenyl)sulfonyloxy-4-phenyl-butanoic acid Openeye Name: 2-(2,4-dinitrophenyl)sulfonyloxy-4-phenyl-butanoic acid CAS Name: 2-(2,4-dinitrophenyl)sulfonyloxy-4-phenylbutanoic acid IUPAC Name: 2-(2,4-dinitrophenyl)sulfonyloxy-4-phenylbutanoic acid Traditional Name: 2-(2,4-dinitrophenyl)sulfonyloxy-4-phenyl-butyric acid Formula: C16H14N2O9S MolecularWeight: 410.35536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)OS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O9S/c19-16(20)14(8-6-11-4-2-1-3-5-11)27-28(25,26)15-9-7-12(17(21)22)10-13(15)18(23)24/h1-5,7,9-10,14H,6,8H2,(H,19,20)