2-(2,4-disulfophenyl)carbonyl-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-(2,4-disulfophenyl)carbonyl-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-(2,4-disulfobenzoyl)-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-[(2,4-disulfophenyl)-oxomethyl]-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-(2,4-disulfobenzoyl)-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-(2,4-disulfobenzoyl)-1H-benzimidazole-4,6-disulfonic acid Formula: C14H10N2O13S4 MolecularWeight: 542.4948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)C(=O)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)C(=O)C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H10N2O13S4/c17-13(8-2-1-6(30(18,19)20)4-10(8)32(24,25)26)14-15-9-3-7(31(21,22)23)5-11(12(9)16-14)33(27,28)29/h1-5H,(H,15,16)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)