(4-bromanyl-2-chloranyl-phenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate Openeye Name: (4-bromo-2-chloro-phenyl) 4-[ethoxy(sec-butylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[(butan-2-ylthio)-ethoxyphosphoryl]oxybenzenesulfonic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(sec-butylthio)phosphoryl]oxybenzenesulfonic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H21BrClO6PS2 MolecularWeight: 543.816501

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C18H21BrClO6PS2/c1-4-13(3)28-27(21,24-5-2)25-15-7-9-16(10-8-15)29(22,23)26-18-11-6-14(19)12-17(18)20/h6-13H,4-5H2,1-3H3