2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(2-methyl-3-nitro-benzyl)sulfonylacetic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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