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

Systemtic Name: [5-bromanyl-2-(9-chloranyl-3-sulfooxy-benzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate Openeye Name: [5-bromo-2-(9-chloro-3-sulfooxy-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5-bromo-2-(9-chloro-3-sulfooxy-2-benzo[g][1]benzothiolyl)-1H-indol-3-yl] ester IUPAC Name: [5-bromo-2-(9-chloro-3-sulfooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-bromo-2-(9-chloro-3-sulfoxy-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] ester Formula: C20H11BrClNO8S3 MolecularWeight: 604.85524

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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

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

InChI

InChI=1S/C20H11BrClNO8S3/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)