tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate

Systemtic Name: tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate Openeye Name: tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate CAS Name: tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate IUPAC Name: tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate Traditional Name: tetrasodium 3-(2,3-disulfonatophenoxy)benzene-1,2-disulfonate Formula: C12H6Na4O13S4 MolecularWeight: 578.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=C(C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H10O13S4.4Na/c13-26(14,15)9-5-1-3-7(11(9)28(19,20)21)25-8-4-2-6-10(27(16,17)18)12(8)29(22,23)24;;;;/h1-6H,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);;;;/q;4*+1/p-4