2-(2-butylphenyl)sulfanyl-2-nitro-ethanoic acid

Systemtic Name: 2-(2-butylphenyl)sulfanyl-2-nitro-ethanoic acid Openeye Name: 2-(2-butylphenyl)sulfanyl-2-nitro-acetic acid CAS Name: 2-[(2-butylphenyl)thio]-2-nitroacetic acid IUPAC Name: 2-(2-butylphenyl)sulfanyl-2-nitroacetic acid Traditional Name: 2-[(2-butylphenyl)thio]-2-nitro-acetic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1SC(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1SC(C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4S/c1-2-3-6-9-7-4-5-8-10(9)18-11(12(14)15)13(16)17/h4-5,7-8,11H,2-3,6H2,1H3,(H,14,15)