[2-[ethoxy(hexylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate

Systemtic Name: [2-[ethoxy(hexylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate Openeye Name: [2-[ethoxy(hexylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[[ethoxy-(hexylthio)phosphoryl]thio]phenyl] ester IUPAC Name: [2-[ethoxy(hexylsulfanyl)phosphoryl]sulfanylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[[ethoxy-(hexylthio)phosphoryl]thio]phenyl] ester Formula: C20H27O5PS3 MolecularWeight: 474.594141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSP(=O)(OCC)SC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSP(=O)(OCC)SC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H27O5PS3/c1-3-5-6-12-17-27-26(21,24-4-2)28-20-16-11-10-15-19(20)25-29(22,23)18-13-8-7-9-14-18/h7-11,13-16H,3-6,12,17H2,1-2H3