trisodium 2-[[7'-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]ethanoate

Systemtic Name: trisodium 2-[[7'-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]ethanoate Openeye Name: trisodium 2-[[7'-[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetate CAS Name: trisodium 2-[[7'-[[bis(2-oxido-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxo-2'-spiro[isobenzofuran-1,9'-xanthene]yl]methyl-(carboxymethyl)amino]acetate IUPAC Name: trisodium 2-[[7'-[[bis(2-oxido-2-oxoethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetate Traditional Name: trisodium 2-[[7'-[[bis(2-keto-2-oxido-ethyl)amino]methyl]-3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetate Formula: C30H23N2Na3O13 MolecularWeight: 688.47853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CN(CC(=O)[O-])CC(=O)[O-])O)O)CN(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)CN(CC(=O)[O-])CC(=O)[O-])O)O)CN(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C30H26N2O13.3Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)30(18-4-2-1-3-17(18)29(43)45-30)20-6-16(22(34)8-24(20)44-23)10-32(13-27(39)40)14-28(41)42;;;/h1-8,33-34H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;/q;3*+1/p-3