(4-octylphenyl) 4-bis[[4-(4-octylphenoxy)-4-oxidanylidene-butyl]sulfanyl]phosphanylsulfanylbutanoate

Systemtic Name: (4-octylphenyl) 4-bis[[4-(4-octylphenoxy)-4-oxidanylidene-butyl]sulfanyl]phosphanylsulfanylbutanoate Openeye Name: (4-octylphenyl) 4-bis[[4-(4-octylphenoxy)-4-oxo-butyl]sulfanyl]phosphanylsulfanylbutanoate CAS Name: 4-[bis[[4-(4-octylphenoxy)-4-oxobutyl]thio]phosphinothio]butanoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 4-bis[[4-(4-octylphenoxy)-4-oxobutyl]sulfanyl]phosphanylsulfanylbutanoate Traditional Name: 4-[bis[[4-keto-4-(4-octylphenoxy)butyl]thio]phosphinothio]butyric acid (4-octylphenyl) ester Formula: C54H81O6PS3 MolecularWeight: 953.386101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)CCCSP(SCCCC(=O)OC2=CC=C(C=C2)CCCCCCCC)SCCCC(=O)OC3=CC=C(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)CCCSP(SCCCC(=O)OC2=CC=C(C=C2)CCCCCCCC)SCCCC(=O)OC3=CC=C(C=C3)CCCCCCCC

InChI

InChI=1S/C54H81O6PS3/c1-4-7-10-13-16-19-25-46-31-37-49(38-32-46)58-52(55)28-22-43-62-61(63-44-23-29-53(56)59-50-39-33-47(34-40-50)26-20-17-14-11-8-5-2)64-45-24-30-54(57)60-51-41-35-48(36-42-51)27-21-18-15-12-9-6-3/h31-42H,4-30,43-45H2,1-3H3