(4-octadecylphenyl) 6-bis[[6-(4-octadecylphenoxy)-6-oxidanylidene-hexyl]sulfanyl]phosphanylsulfanylhexanoate

Systemtic Name: (4-octadecylphenyl) 6-bis[[6-(4-octadecylphenoxy)-6-oxidanylidene-hexyl]sulfanyl]phosphanylsulfanylhexanoate Openeye Name: (4-octadecylphenyl) 6-bis[[6-(4-octadecylphenoxy)-6-oxo-hexyl]sulfanyl]phosphanylsulfanylhexanoate CAS Name: 6-[bis[[6-(4-octadecylphenoxy)-6-oxohexyl]thio]phosphinothio]hexanoic acid (4-octadecylphenyl) ester IUPAC Name: (4-octadecylphenyl) 6-bis[[6-(4-octadecylphenoxy)-6-oxohexyl]sulfanyl]phosphanylsulfanylhexanoate Traditional Name: 6-[bis[[6-keto-6-(4-stearylphenoxy)hexyl]thio]phosphinothio]hexanoic acid (4-stearylphenyl) ester Formula: C90H153O6PS3 MolecularWeight: 1458.342981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)CCCCCSP(SCCCCCC(=O)OC2=CC=C(C=C2)CCCCCCCCCCCCCCCCCC)SCCCCCC(=O)OC3=CC=C(C=C3)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)CCCCCSP(SCCCCCC(=O)OC2=CC=C(C=C2)CCCCCCCCCCCCCCCCCC)SCCCCCC(=O)OC3=CC=C(C=C3)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C90H153O6PS3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-61-82-67-73-85(74-68-82)94-88(91)64-55-49-58-79-98-97(99-80-59-50-56-65-89(92)95-86-75-69-83(70-76-86)62-53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)100-81-60-51-57-66-90(93)96-87-77-71-84(72-78-87)63-54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h67-78H,4-66,79-81H2,1-3H3