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

Systemtic Name: disodium [5-bromanyl-2-(5-bromanyl-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate Openeye Name: disodium [5-bromo-2-(5-bromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate CAS Name: disodium [5-bromo-2-(5-bromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate IUPAC Name: disodium [5-bromo-2-(5-bromo-3-sulfonatooxy-1H-indol-2-yl)-1H-indol-3-yl] sulfate Traditional Name: disodium [5-bromo-2-(5-bromo-3-sulfato-1H-indol-2-yl)-1H-indol-3-yl] sulfate Formula: C16H8Br2N2Na2O8S2 MolecularWeight: 626.16086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C(N2)C3=C(C4=C(N3)C=CC(=C4)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=C(N2)C3=C(C4=C(N3)C=CC(=C4)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H10Br2N2O8S2.2Na/c17-7-1-3-11-9(5-7)15(27-29(21,22)23)13(19-11)14-16(28-30(24,25)26)10-6-8(18)2-4-12(10)20-14;;/h1-6,19-20H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2