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

Systemtic Name: disodium [2-(9-chloranyl-3-sulfonatooxy-benzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate Openeye Name: disodium [2-(9-chloro-3-sulfonatooxy-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] sulfate CAS Name: disodium [2-(9-chloro-3-sulfonatooxy-2-benzo[g][1]benzothiolyl)-1H-indol-3-yl] sulfate IUPAC Name: disodium [2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate Traditional Name: disodium [2-(9-chloro-3-sulfato-benzo[g]benzothiophen-2-yl)-1H-indol-3-yl] sulfate Formula: C20H10ClNNa2O8S3 MolecularWeight: 569.92284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=C(S3)C5=C(C=CC=C5Cl)C=C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=C(S3)C5=C(C=CC=C5Cl)C=C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H12ClNO8S3.2Na/c21-13-6-3-4-10-8-9-12-18(30-33(26,27)28)20(31-19(12)15(10)13)16-17(29-32(23,24)25)11-5-1-2-7-14(11)22-16;;/h1-9,22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2