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

Systemtic Name: tetrasodium 2-[2,7-bis[[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]methyl]-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: tetrasodium 2-[2,7-bis[[bis(2-oxido-2-oxo-ethyl)amino]methyl]-3-hydroxy-6-oxo-xanthen-9-yl]benzoate CAS Name: tetrasodium 2-[2,7-bis[[bis(2-oxido-2-oxoethyl)amino]methyl]-3-hydroxy-6-oxo-9-xanthenyl]benzoate IUPAC Name: tetrasodium 2-[2,7-bis[[bis(2-oxido-2-oxoethyl)amino]methyl]-3-hydroxy-6-oxoxanthen-9-yl]benzoate Traditional Name: tetrasodium 2-[2,7-bis[[bis(2-keto-2-oxido-ethyl)amino]methyl]-3-hydroxy-6-keto-xanthen-9-yl]benzoate Formula: C30H21N2Na4O13- MolecularWeight: 709.45242

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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-5