phenyl 3-[ethoxy(hexylsulfanyl)phosphoryl]oxy-2,5-dimethyl-benzenesulfonate

Systemtic Name: phenyl 3-[ethoxy(hexylsulfanyl)phosphoryl]oxy-2,5-dimethyl-benzenesulfonate Openeye Name: phenyl 3-[ethoxy(hexylsulfanyl)phosphoryl]oxy-2,5-dimethyl-benzenesulfonate CAS Name: 3-[ethoxy-(hexylthio)phosphoryl]oxy-2,5-dimethylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[ethoxy(hexylsulfanyl)phosphoryl]oxy-2,5-dimethylbenzenesulfonate Traditional Name: 3-[ethoxy-(hexylthio)phosphoryl]oxy-2,5-dimethyl-benzenesulfonic acid phenyl ester Formula: C22H31O6PS2 MolecularWeight: 486.581701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSP(=O)(OCC)OC1=C(C(=CC(=C1)C)S(=O)(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCSP(=O)(OCC)OC1=C(C(=CC(=C1)C)S(=O)(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C22H31O6PS2/c1-5-7-8-12-15-30-29(23,26-6-2)27-21-16-18(3)17-22(19(21)4)31(24,25)28-20-13-10-9-11-14-20/h9-11,13-14,16-17H,5-8,12,15H2,1-4H3