disodium [2,5-bis[(4-chlorophenyl)amino]-4-sulfonatooxy-phenyl] sulfate

Systemtic Name: disodium [2,5-bis[(4-chlorophenyl)amino]-4-sulfonatooxy-phenyl] sulfate Openeye Name: disodium [2,5-bis(4-chloroanilino)-4-sulfonatooxy-phenyl] sulfate CAS Name: disodium [2,5-bis(4-chloroanilino)-4-sulfonatooxyphenyl] sulfate IUPAC Name: disodium [2,5-bis(4-chloroanilino)-4-sulfonatooxyphenyl] sulfate Traditional Name: disodium [2,5-bis(4-chloroanilino)-4-sulfato-phenyl] sulfate Formula: C18H12Cl2N2Na2O8S2 MolecularWeight: 565.31202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=C(C=C2OS(=O)(=O)[O-])NC3=CC=C(C=C3)Cl)OS(=O)(=O)[O-])Cl.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C=C2OS(=O)(=O)[O-])NC3=CC=C(C=C3)Cl)OS(=O)(=O)[O-])Cl.[Na+].[Na+]

InChI

InChI=1S/C18H14Cl2N2O8S2.2Na/c19-11-1-5-13(6-2-11)21-15-9-18(30-32(26,27)28)16(10-17(15)29-31(23,24)25)22-14-7-3-12(20)4-8-14;;/h1-10,21-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2