disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate

Systemtic Name: disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate Openeye Name: disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate CAS Name: disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate IUPAC Name: disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate Traditional Name: disodium 2-phenoxysulfonyl-4-sulfo-2H-benzimidazole-1,3-disulfonate Formula: C13H10N2Na2O12S4 MolecularWeight: 560.46424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2N(C3=C(N2S(=O)(=O)[O-])C(=CC=C3)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2N(C3=C(N2S(=O)(=O)[O-])C(=CC=C3)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H12N2O12S4.2Na/c16-28(17,18)11-8-4-7-10-12(11)15(31(24,25)26)13(14(10)30(21,22)23)29(19,20)27-9-5-2-1-3-6-9;;/h1-8,13H,(H,16,17,18)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2