tetrasodium; 4,5-bis(oxidanidyl)benzene-1,3-disulfonate; hydron; neodymium(3+)

Systemtic Name: tetrasodium; 4,5-bis(oxidanidyl)benzene-1,3-disulfonate; hydron; neodymium(3+) Openeye Name: tetrasodium; 4,5-dioxidobenzene-1,3-disulfonate; hydron; neodymium(3+) CAS Name: tetrasodium; 4,5-dioxidobenzene-1,3-disulfonate; hydron; neodymium(3+) IUPAC Name: tetrasodium; 4,5-dioxidobenzene-1,3-disulfonate; hydron; neodymium(3+) Traditional Name: tetrasodium; 4,5-dioxidobenzene-1,3-disulfonate; hydron; neodymium(3+) Formula: C12H5Na4NdO16S4 MolecularWeight: 769.61758

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Nd+3]

Isomeric SMILES

[H+].C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Nd+3]

InChI

InChI=1S/2C6H6O8S2.4Na.Nd/c2*7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;/h2*1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;/q;;4*+1;+3/p-7