3-(4-methyl-3-nitro-phenyl)sulfonylpropanoic acid

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)sulfonylpropanoic acid Openeye Name: 3-(4-methyl-3-nitro-phenyl)sulfonylpropanoic acid CAS Name: 3-(4-methyl-3-nitrophenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-methyl-3-nitrophenyl)sulfonylpropanoic acid Traditional Name: 3-(4-methyl-3-nitro-phenyl)sulfonylpropionic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO6S/c1-7-2-3-8(6-9(7)11(14)15)18(16,17)5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)