2-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(4-methoxy-3-nitro-benzyl)sulfonylacetic acid Formula: C10H11NO7S MolecularWeight: 289.26184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CS(=O)(=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO7S/c1-18-9-3-2-7(4-8(9)11(14)15)5-19(16,17)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)