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

Systemtic Name: disodium [2-[5,7-bis(bromanyl)-3-sulfonatooxy-1H-indol-2-yl]-5,7-bis(bromanyl)-1H-indol-3-yl] sulfate Openeye Name: disodium [5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate CAS Name: disodium [5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate IUPAC Name: disodium [5,7-dibromo-2-(5,7-dibromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate Traditional Name: disodium [5,7-dibromo-2-(5,7-dibromo-3-sulfato-1H-indol-2-yl)-1H-indol-3-yl] sulfate Formula: C16H6Br4N2Na2O8S2 MolecularWeight: 783.95298

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1Br)NC(=C2OS(=O)(=O)[O-])C3=C(C4=CC(=CC(=C4N3)Br)Br)OS(=O)(=O)[O-])Br.[Na+].[Na+]

Isomeric SMILES

C1=C(C=C2C(=C1Br)NC(=C2OS(=O)(=O)[O-])C3=C(C4=CC(=CC(=C4N3)Br)Br)OS(=O)(=O)[O-])Br.[Na+].[Na+]

InChI

InChI=1S/C16H8Br4N2O8S2.2Na/c17-5-1-7-11(9(19)3-5)21-13(15(7)29-31(23,24)25)14-16(30-32(26,27)28)8-2-6(18)4-10(20)12(8)22-14;;/h1-4,21-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2