2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]sulfanylacetic acid CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]thio]acetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]sulfanylacetic acid Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]thio]acetic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C11H11NO6S/c13-11(14)5-19-10(4-12(15)16)7-1-2-8-9(3-7)18-6-17-8/h1-3,10H,4-6H2,(H,13,14)