disodium [5,7-bis(chloranyl)-2-(6-chloranyl-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate

Systemtic Name: disodium [5,7-bis(chloranyl)-2-(6-chloranyl-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate Openeye Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate CAS Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate IUPAC Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate Traditional Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfato-1H-indol-2-yl)-1H-indol-3-yl] sulfate Formula: C16H7Cl3N2Na2O8S2 MolecularWeight: 571.70392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=C2OS(=O)(=O)[O-])C3=C(C4=CC(=CC(=C4N3)Cl)Cl)OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=C2OS(=O)(=O)[O-])C3=C(C4=CC(=CC(=C4N3)Cl)Cl)OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H9Cl3N2O8S2.2Na/c17-6-1-2-8-11(5-6)20-13(15(8)28-30(22,23)24)14-16(29-31(25,26)27)9-3-7(18)4-10(19)12(9)21-14;;/h1-5,20-21H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2