3-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(4-methylsulfonyl-2-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]propionic acid Formula: C10H11NO6S2 MolecularWeight: 305.32744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S2/c1-19(16,17)7-2-3-9(8(6-7)11(14)15)18-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)