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

Systemtic Name: (2S)-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoate Openeye Name: (2S)-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoate CAS Name: (2S)-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]propanoate IUPAC Name: (2S)-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)thio]propionate Formula: C11H10NO6S- MolecularWeight: 284.2652

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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

C[C@@H](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)/p-1/t6-/m0/s1