2-(4-butan-2-ylphenyl)sulfonyl-2-nitro-ethanoic acid

Systemtic Name: 2-(4-butan-2-ylphenyl)sulfonyl-2-nitro-ethanoic acid Openeye Name: 2-nitro-2-(4-sec-butylphenyl)sulfonyl-acetic acid CAS Name: 2-(4-butan-2-ylphenyl)sulfonyl-2-nitroacetic acid IUPAC Name: 2-(4-butan-2-ylphenyl)sulfonyl-2-nitroacetic acid Traditional Name: 2-nitro-2-(4-sec-butylphenyl)sulfonyl-acetic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-3-8(2)9-4-6-10(7-5-9)20(18,19)11(12(14)15)13(16)17/h4-8,11H,3H2,1-2H3,(H,14,15)