phenyl 2-butyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxy-benzenesulfonate

Systemtic Name: phenyl 2-butyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxy-benzenesulfonate Openeye Name: phenyl 2-butyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxy-benzenesulfonate CAS Name: 2-butyl-4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-butyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 2-butyl-4-[ethoxy-(propylthio)phosphoryl]oxy-benzenesulfonic acid phenyl ester Formula: C21H29O6PS2 MolecularWeight: 472.555121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)OP(=O)(OCC)SCCC)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=CC(=C1)OP(=O)(OCC)SCCC)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H29O6PS2/c1-4-7-11-18-17-20(26-28(22,25-6-3)29-16-5-2)14-15-21(18)30(23,24)27-19-12-9-8-10-13-19/h8-10,12-15,17H,4-7,11,16H2,1-3H3