3-methyl-2-(4-nitrophenyl)sulfonyl-butanoic acid

Systemtic Name: 3-methyl-2-(4-nitrophenyl)sulfonyl-butanoic acid Openeye Name: 3-methyl-2-(4-nitrophenyl)sulfonyl-butanoic acid CAS Name: 3-methyl-2-(4-nitrophenyl)sulfonylbutanoic acid IUPAC Name: 3-methyl-2-(4-nitrophenyl)sulfonylbutanoic acid Traditional Name: 3-methyl-2-nosyl-butyric acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-7(2)10(11(13)14)19(17,18)9-5-3-8(4-6-9)12(15)16/h3-7,10H,1-2H3,(H,13,14)