disodium [5-bromanyl-2-(9-chloranyl-3-sulfonatooxy-benzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate

Systemtic Name: disodium [5-bromanyl-2-(9-chloranyl-3-sulfonatooxy-benzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate Openeye Name: disodium [5-bromo-2-(9-chloro-3-sulfonatooxy-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] sulfate CAS Name: disodium [5-bromo-2-(9-chloro-3-sulfonatooxy-2-benzo[g][1]benzothiolyl)-1H-indol-3-yl] sulfate IUPAC Name: disodium [5-bromo-2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate Traditional Name: disodium [5-bromo-2-(9-chloro-3-sulfato-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] sulfate Formula: C20H9BrClNNa2O8S3 MolecularWeight: 648.8189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=C(C5=C(N4)C=CC(=C5)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=C(C5=C(N4)C=CC(=C5)Br)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H11BrClNO8S3.2Na/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20;;/h1-8,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2