disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate

Systemtic Name: disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate Openeye Name: disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate CAS Name: disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate IUPAC Name: disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate Traditional Name: disodium 7-sulfo-2-[4-(7-sulfo-5H-benzimidazol-5-id-2-yl)phenyl]-3H-benzimidazole-5-sulfonate Formula: C20H12N4Na2O9S3 MolecularWeight: 594.50522

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=C2C(=NC(=N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)[O-])S(=O)(=O)O)C(=C1)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

[CH-]1C=C2C(=NC(=N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)[O-])S(=O)(=O)O)C(=C1)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C20H13N4O9S3.2Na/c25-34(26,27)12-8-14-18(16(9-12)36(31,32)33)24-20(22-14)11-6-4-10(5-7-11)19-21-13-2-1-3-15(17(13)23-19)35(28,29)30;;/h1-9H,(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q-1;2*+1/p-1