phenyl 3-[butan-2-ylsulfanyl(butoxy)phosphoryl]oxybenzenesulfonate

Systemtic Name: phenyl 3-[butan-2-ylsulfanyl(butoxy)phosphoryl]oxybenzenesulfonate Openeye Name: phenyl 3-[butoxy(sec-butylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 3-[(butan-2-ylthio)-butoxyphosphoryl]oxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[butan-2-ylsulfanyl(butoxy)phosphoryl]oxybenzenesulfonate Traditional Name: 3-[butoxy-(sec-butylthio)phosphoryl]oxybenzenesulfonic acid phenyl ester Formula: C20H27O6PS2 MolecularWeight: 458.528541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2)SC(C)CC

Isomeric SMILES

CCCCOP(=O)(OC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC=C2)SC(C)CC

InChI

InChI=1S/C20H27O6PS2/c1-4-6-15-24-27(21,28-17(3)5-2)25-19-13-10-14-20(16-19)29(22,23)26-18-11-8-7-9-12-18/h7-14,16-17H,4-6,15H2,1-3H3