[2,5-bis[(4-chlorophenyl)amino]-4-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [2,5-bis[(4-chlorophenyl)amino]-4-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [2,5-bis(4-chloroanilino)-4-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2,5-bis(4-chloroanilino)-4-sulfooxyphenyl] ester IUPAC Name: [2,5-bis(4-chloroanilino)-4-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [2,5-bis(4-chloroanilino)-4-sulfoxy-phenyl] ester Formula: C18H14Cl2N2O8S2 MolecularWeight: 521.34836

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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

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C=C2OS(=O)(=O)O)NC3=CC=C(C=C3)Cl)OS(=O)(=O)O)Cl

InChI

InChI=1S/C18H14Cl2N2O8S2/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)