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

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

C1COC2=C(O1)C=C(C(=C2)SCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)SCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11NO6S/c13-11(14)1-4-19-10-6-9-8(17-2-3-18-9)5-7(10)12(15)16/h5-6H,1-4H2,(H,13,14)/p-1