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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO7S/c1-8(2)7-11(12(14)15)20-21(18,19)10-5-3-9(4-6-10)13(16)17/h3-6,8,11H,7H2,1-2H3,(H,14,15)