disodium [5,7-bis(chloranyl)-2-(6-chloranyl-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-1H-indol-3-yl] sulfate

Systemtic Name: disodium [5,7-bis(chloranyl)-2-(6-chloranyl-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-1H-indol-3-yl] sulfate Openeye Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-4-methyl-benzothiophen-3-yl] sulfate CAS Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate IUPAC Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfonatooxy-1H-indol-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate Traditional Name: disodium [6-chloro-2-(5,7-dichloro-3-sulfato-1H-indol-2-yl)-4-methyl-benzothiophen-3-yl] sulfate Formula: C17H8Cl3NNa2O8S3 MolecularWeight: 602.78086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=C(S2)C3=C(C4=CC(=CC(=C4N3)Cl)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC2=C1C(=C(S2)C3=C(C4=CC(=CC(=C4N3)Cl)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C17H10Cl3NO8S3.2Na/c1-6-2-7(18)5-11-12(6)16(29-32(25,26)27)17(30-11)14-15(28-31(22,23)24)9-3-8(19)4-10(20)13(9)21-14;;/h2-5,21H,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2