tetrasodium 2-[[5-[1-[3-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-oxidanyl-phenyl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tetrasodium 2-[[5-[1-[3-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-4-oxidanyl-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]-2-oxidanyl-phenyl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tetrasodium 2-[[5-[1-[3-[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-4-hydroxy-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-phenyl]methyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: tetrasodium 2-[[5-[1-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-1-isobenzofuranyl]-2-hydroxyphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: tetrasodium 2-[[5-[1-[3-[[bis(2-oxido-2-oxoethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: tetrasodium 2-[[5-[1-[3-[[bis(2-keto-2-oxido-ethyl)amino]methyl]-4-hydroxy-phenyl]-3-keto-phthalan-1-yl]-2-hydroxy-benzyl]-(2-keto-2-oxido-ethyl)amino]acetate Formula: C30H24N2Na4O12 MolecularWeight: 696.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)[O-])CC(=O)[O-])C4=CC(=C(C=C4)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)[O-])CC(=O)[O-])C4=CC(=C(C=C4)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H28N2O12.4Na/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42;;;;/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4