[4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [4-[ethoxy(propylsulfanyl)phosphoryl]sulfanylphenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[[ethoxy-(propylthio)phosphoryl]thio]phenyl] ester Formula: C17H20BrO5PS3 MolecularWeight: 511.410461

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCSP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrO5PS3/c1-3-13-25-24(19,22-4-2)26-16-9-7-15(8-10-16)23-27(20,21)17-11-5-14(18)6-12-17/h5-12H,3-4,13H2,1-2H3