2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]methyl]-4-nitro-phenolate Formula: C18H17N2O5S2- MolecularWeight: 405.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N2O5S2/c21-16-6-3-14(20(23)24)9-13(16)10-19-17(22)11-25-15-4-1-12(2-5-15)18-26-7-8-27-18/h1-6,9,18,21H,7-8,10-11H2,(H,19,22)/p-1