2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoic acid Openeye Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoic acid CAS Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]propanoic acid IUPAC Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoic acid Traditional Name: 2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]propionic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CC(C(=O)O)SC1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C11H11NO6S/c1-6(11(13)14)19-10-5-9-8(17-2-3-18-9)4-7(10)12(15)16/h4-6H,2-3H2,1H3,(H,13,14)