disodium [6-chloranyl-2-(6-chloranyl-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate

Systemtic Name: disodium [6-chloranyl-2-(6-chloranyl-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate Openeye Name: disodium [6-chloro-2-(6-chloro-4-methyl-3-sulfonatooxy-benzothiophen-2-yl)-4-methyl-benzothiophen-3-yl] sulfate CAS Name: disodium [6-chloro-2-(6-chloro-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate IUPAC Name: disodium [6-chloro-2-(6-chloro-4-methyl-3-sulfonatooxy-1-benzothiophen-2-yl)-4-methyl-1-benzothiophen-3-yl] sulfate Traditional Name: disodium [6-chloro-2-(6-chloro-4-methyl-3-sulfato-benzothiophen-2-yl)-4-methyl-benzothiophen-3-yl] sulfate Formula: C18H10Cl2Na2O8S4 MolecularWeight: 599.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=C(S2)C3=C(C4=C(S3)C=C(C=C4C)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC2=C1C(=C(S2)C3=C(C4=C(S3)C=C(C=C4C)Cl)OS(=O)(=O)[O-])OS(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C18H12Cl2O8S4.2Na/c1-7-3-9(19)5-11-13(7)15(27-31(21,22)23)17(29-11)18-16(28-32(24,25)26)14-8(2)4-10(20)6-12(14)30-18;;/h3-6H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2