2-(5-methyl-2-nitro-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(5-methyl-2-nitro-phenyl)sulfonylethanoic acid Openeye Name: 2-(5-methyl-2-nitro-phenyl)sulfonylacetic acid CAS Name: 2-(5-methyl-2-nitrophenyl)sulfonylacetic acid IUPAC Name: 2-(5-methyl-2-nitrophenyl)sulfonylacetic acid Traditional Name: 2-(5-methyl-2-nitro-phenyl)sulfonylacetic acid Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c1-6-2-3-7(10(13)14)8(4-6)17(15,16)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)