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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)S(=O)(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)S(=O)(=O)CCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

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