[4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxyphenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxyphenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[ethoxy(sec-butylsulfanyl)phosphoryl]oxyphenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[(butan-2-ylthio)-ethoxyphosphoryl]oxyphenyl] ester IUPAC Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxyphenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[ethoxy-(sec-butylthio)phosphoryl]oxyphenyl] ester Formula: C18H22BrO6PS2 MolecularWeight: 509.371441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)SP(=O)(OCC)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H22BrO6PS2/c1-4-14(3)27-26(20,23-5-2)24-16-8-10-17(11-9-16)25-28(21,22)18-12-6-15(19)7-13-18/h6-14H,4-5H2,1-3H3