[2-bromanyl-4-[(4-chloranyl-3-sulfamoyl-phenyl)methylsulfanylmethyl]phenyl]phosphonic acid

Systemtic Name: [2-bromanyl-4-[(4-chloranyl-3-sulfamoyl-phenyl)methylsulfanylmethyl]phenyl]phosphonic acid Openeye Name: [2-bromo-4-[(4-chloro-3-sulfamoyl-phenyl)methylsulfanylmethyl]phenyl]phosphonic acid CAS Name: [2-bromo-4-[[(4-chloro-3-sulfamoylphenyl)methylthio]methyl]phenyl]phosphonic acid IUPAC Name: [2-bromo-4-[(4-chloro-3-sulfamoylphenyl)methylsulfanylmethyl]phenyl]phosphonic acid Traditional Name: [2-bromo-4-[[(4-chloro-3-sulfamoyl-benzyl)thio]methyl]phenyl]phosphonic acid Formula: C14H14BrClNO5PS2 MolecularWeight: 486.725421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC2=CC(=C(C=C2)Cl)S(=O)(=O)N)Br)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1CSCC2=CC(=C(C=C2)Cl)S(=O)(=O)N)Br)P(=O)(O)O

InChI

InChI=1S/C14H14BrClNO5PS2/c15-11-5-9(2-4-13(11)23(18,19)20)7-24-8-10-1-3-12(16)14(6-10)25(17,21)22/h1-6H,7-8H2,(H2,17,21,22)(H2,18,19,20)