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

Systemtic Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(2-methyl-3-nitro-phenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(2-methyl-3-nitrophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(2-methyl-3-nitrophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(2-methyl-3-nitro-benzyl)sulfonylpropionic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-8-9(3-2-4-10(8)12(15)16)7-19(17,18)6-5-11(13)14/h2-4H,5-7H2,1H3,(H,13,14)