2-methyl-2-(4-nitrophenyl)sulfonyloxy-pentanoic acid

Systemtic Name: 2-methyl-2-(4-nitrophenyl)sulfonyloxy-pentanoic acid Openeye Name: 2-methyl-2-(4-nitrophenyl)sulfonyloxy-pentanoic acid CAS Name: 2-methyl-2-(4-nitrophenyl)sulfonyloxypentanoic acid IUPAC Name: 2-methyl-2-(4-nitrophenyl)sulfonyloxypentanoic acid Traditional Name: 2-methyl-2-nosyloxy-valeric acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO7S/c1-3-8-12(2,11(14)15)20-21(18,19)10-6-4-9(5-7-10)13(16)17/h4-7H,3,8H2,1-2H3,(H,14,15)