[3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] benzenesulfonate

Systemtic Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] benzenesulfonate Openeye Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[(butylthio)-ethoxyphosphoryl]oxyphenyl] ester IUPAC Name: [3-[butylsulfanyl(ethoxy)phosphoryl]oxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[(butylthio)-ethoxy-phosphoryl]oxyphenyl] ester Formula: C18H23O6PS2 MolecularWeight: 430.475381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCSP(=O)(OCC)OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H23O6PS2/c1-3-5-14-26-25(19,22-4-2)23-16-10-9-11-17(15-16)24-27(20,21)18-12-7-6-8-13-18/h6-13,15H,3-5,14H2,1-2H3