octadecyl 3-[[2,4,6-trimethyl-3-[(3-octadecoxy-3-oxidanylidene-propyl)sulfanylmethyl]-5-oxidanyl-phenyl]methylsulfanyl]propanoate

Systemtic Name: octadecyl 3-[[2,4,6-trimethyl-3-[(3-octadecoxy-3-oxidanylidene-propyl)sulfanylmethyl]-5-oxidanyl-phenyl]methylsulfanyl]propanoate Openeye Name: octadecyl 3-[[3-hydroxy-2,4,6-trimethyl-5-[(3-octadecoxy-3-oxo-propyl)sulfanylmethyl]phenyl]methylsulfanyl]propanoate CAS Name: 3-[[3-hydroxy-2,4,6-trimethyl-5-[[(3-octadecoxy-3-oxopropyl)thio]methyl]phenyl]methylthio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[[3-hydroxy-2,4,6-trimethyl-5-[(3-octadecoxy-3-oxopropyl)sulfanylmethyl]phenyl]methylsulfanyl]propanoate Traditional Name: 3-[[3-hydroxy-5-[[(3-keto-3-stearyloxy-propyl)thio]methyl]-2,4,6-trimethyl-benzyl]thio]propionic acid stearyl ester Formula: C53H96O5S2 MolecularWeight: 877.45634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSCC1=C(C(=C(C(=C1C)O)C)CSCCC(=O)OCCCCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSCC1=C(C(=C(C(=C1C)O)C)CSCCC(=O)OCCCCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C53H96O5S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-57-51(54)38-42-59-44-49-46(3)50(48(5)53(56)47(49)4)45-60-43-39-52(55)58-41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h56H,6-45H2,1-5H3