[3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[ethoxy(isobutylsulfanyl)phosphoryl]oxyphenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[ethoxy-(2-methylpropylthio)phosphoryl]oxyphenyl] ester IUPAC Name: [3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxyphenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[ethoxy-(isobutylthio)phosphoryl]oxyphenyl] ester Formula: C18H22FO6PS2 MolecularWeight: 448.465844

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)F)SCC(C)C

InChI

InChI=1S/C18H22FO6PS2/c1-4-23-26(20,27-13-14(2)3)24-16-6-5-7-17(12-16)25-28(21,22)18-10-8-15(19)9-11-18/h5-12,14H,4,13H2,1-3H3