tricesium 2-[[4-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tricesium 2-[[4-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tricesium 2-[4-[5-(4-methoxyphenyl)-2-thienyl]-2-(2-oxido-2-oxo-ethoxy)-N-(2-oxido-2-oxo-ethyl)anilino]acetate CAS Name: tricesium 2-[4-[5-(4-methoxyphenyl)-2-thiophenyl]-2-(2-oxido-2-oxoethoxy)-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: tricesium 2-[4-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(2-oxido-2-oxoethoxy)-N-(2-oxido-2-oxoethyl)anilino]acetate Traditional Name: tricesium 2-[2-(2-keto-2-oxido-ethoxy)-N-(2-keto-2-oxido-ethyl)-4-[5-(4-methoxyphenyl)-2-thienyl]anilino]acetate Formula: C23H18Cs3NO8S MolecularWeight: 867.17227

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)N(CC(=O)[O-])CC(=O)[O-])OCC(=O)[O-].[Cs+].[Cs+].[Cs+]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)N(CC(=O)[O-])CC(=O)[O-])OCC(=O)[O-].[Cs+].[Cs+].[Cs+]

InChI

InChI=1S/C23H21NO8S.3Cs/c1-31-16-5-2-14(3-6-16)19-8-9-20(33-19)15-4-7-17(18(10-15)32-13-23(29)30)24(11-21(25)26)12-22(27)28;;;/h2-10H,11-13H2,1H3,(H,25,26)(H,27,28)(H,29,30);;;/q;3*+1/p-3