[4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] 4-fluoranylbenzenesulfonate Openeye Name: [4-[ethoxy(isobutylsulfanyl)phosphoryl]sulfanylphenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [4-[[ethoxy-(2-methylpropylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[[ethoxy-(isobutylthio)phosphoryl]thio]phenyl] ester Formula: C18H22FO5PS3 MolecularWeight: 464.531444

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(SCC(C)C)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOP(=O)(SCC(C)C)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H22FO5PS3/c1-4-23-25(20,26-13-14(2)3)27-17-9-7-16(8-10-17)24-28(21,22)18-11-5-15(19)6-12-18/h5-12,14H,4,13H2,1-3H3