(4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxidanylidene-propyl]sulfanyl]phosphanylsulfanylpropanoate

Systemtic Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxidanylidene-propyl]sulfanyl]phosphanylsulfanylpropanoate Openeye Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxo-propyl]sulfanyl]phosphanylsulfanylpropanoate CAS Name: 3-[bis[[3-(4-nonylphenoxy)-3-oxopropyl]thio]phosphinothio]propanoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 3-bis[[3-(4-nonylphenoxy)-3-oxopropyl]sulfanyl]phosphanylsulfanylpropanoate Traditional Name: 3-[bis[[3-keto-3-(4-nonylphenoxy)propyl]thio]phosphinothio]propionic acid (4-nonylphenyl) ester Formula: C54H81O6PS3 MolecularWeight: 953.386101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)CCSP(SCCC(=O)OC2=CC=C(C=C2)CCCCCCCCC)SCCC(=O)OC3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)CCSP(SCCC(=O)OC2=CC=C(C=C2)CCCCCCCCC)SCCC(=O)OC3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C54H81O6PS3/c1-4-7-10-13-16-19-22-25-46-28-34-49(35-29-46)58-52(55)40-43-62-61(63-44-41-53(56)59-50-36-30-47(31-37-50)26-23-20-17-14-11-8-5-2)64-45-42-54(57)60-51-38-32-48(33-39-51)27-24-21-18-15-12-9-6-3/h28-39H,4-27,40-45H2,1-3H3