3-[2-(4-nitrophenyl)ethylsulfonyl]propanoic acid

Systemtic Name: 3-[2-(4-nitrophenyl)ethylsulfonyl]propanoic acid Openeye Name: 3-[2-(4-nitrophenyl)ethylsulfonyl]propanoic acid CAS Name: 3-[2-(4-nitrophenyl)ethylsulfonyl]propanoic acid IUPAC Name: 3-[2-(4-nitrophenyl)ethylsulfonyl]propanoic acid Traditional Name: 3-[2-(4-nitrophenyl)ethylsulfonyl]propionic acid Formula: C11H13NO6S MolecularWeight: 287.28902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCS(=O)(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCS(=O)(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO6S/c13-11(14)6-8-19(17,18)7-5-9-1-3-10(4-2-9)12(15)16/h1-4H,5-8H2,(H,13,14)