phenethyl 3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate

Systemtic Name: phenethyl 3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate Openeye Name: phenethyl 3-[ethoxy(isobutylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 3-[ethoxy-(2-methylpropylthio)phosphoryl]oxybenzenesulfonic acid phenethyl ester IUPAC Name: phenethyl 3-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 3-[ethoxy-(isobutylthio)phosphoryl]oxybenzenesulfonic acid phenethyl ester Formula: C20H27O6PS2 MolecularWeight: 458.528541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=CC(=CC=C1)S(=O)(=O)OCCC2=CC=CC=C2)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=CC(=CC=C1)S(=O)(=O)OCCC2=CC=CC=C2)SCC(C)C

InChI

InChI=1S/C20H27O6PS2/c1-4-24-27(21,28-16-17(2)3)26-19-11-8-12-20(15-19)29(22,23)25-14-13-18-9-6-5-7-10-18/h5-12,15,17H,4,13-14,16H2,1-3H3