tetrasodium 2-[[7-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-9-(2-carboxyphenyl)-3-oxidanyl-6-oxidanylidene-xanthen-2-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: tetrasodium 2-[[7-[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-9-(2-carboxyphenyl)-3-oxidanyl-6-oxidanylidene-xanthen-2-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: tetrasodium 2-[[7-[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-xanthen-2-yl]methyl-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: tetrasodium 2-[[7-[[bis(2-oxido-2-oxoethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-oxo-2-xanthenyl]methyl-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: tetrasodium 2-[[7-[[bis(2-oxido-2-oxoethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-2-yl]methyl-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: tetrasodium 2-[[7-[[bis(2-keto-2-oxido-ethyl)amino]methyl]-9-(2-carboxyphenyl)-3-hydroxy-6-keto-xanthen-2-yl]methyl-(2-keto-2-oxido-ethyl)amino]acetate Formula: C30H22N2Na4O13 MolecularWeight: 710.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CN(CC(=O)[O-])CC(=O)[O-])O)CN(CC(=O)[O-])CC(=O)[O-])C(=O)O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)CN(CC(=O)[O-])CC(=O)[O-])O)CN(CC(=O)[O-])CC(=O)[O-])C(=O)O.[Na+].[Na+].[Na+].[Na+]

InChI

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