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

Systemtic Name: 3-[2-[2-(4-nitrophenyl)ethoxy]ethylsulfonyl]propanoic acid Openeye Name: 3-[2-[2-(4-nitrophenyl)ethoxy]ethylsulfonyl]propanoic acid CAS Name: 3-[2-[2-(4-nitrophenyl)ethoxy]ethylsulfonyl]propanoic acid IUPAC Name: 3-[2-[2-(4-nitrophenyl)ethoxy]ethylsulfonyl]propanoic acid Traditional Name: 3-[2-[2-(4-nitrophenyl)ethoxy]ethylsulfonyl]propionic acid Formula: C13H17NO7S MolecularWeight: 331.34158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOCCS(=O)(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCOCCS(=O)(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO7S/c15-13(16)6-9-22(19,20)10-8-21-7-5-11-1-3-12(4-2-11)14(17)18/h1-4H,5-10H2,(H,15,16)