(4-cyanophenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Openeye Name: (4-cyanophenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate CAS Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzenesulfonate Traditional Name: 4-[ethoxy-(propylthio)phosphoryl]oxybenzenesulfonic acid (4-cyanophenyl) ester Formula: C18H20NO6PS2 MolecularWeight: 441.458261

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCSP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20NO6PS2/c1-3-13-27-26(20,23-4-2)24-16-9-11-18(12-10-16)28(21,22)25-17-7-5-15(14-19)6-8-17/h5-12H,3-4,13H2,1-2H3