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

Systemtic Name: octadecyl 2-[[2,4,6-trimethyl-3-[(2-octadecoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-5-oxidanyl-phenyl]methylsulfanyl]ethanoate Openeye Name: octadecyl 2-[[3-hydroxy-2,4,6-trimethyl-5-[(2-octadecoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[3-hydroxy-2,4,6-trimethyl-5-[[(2-octadecoxy-2-oxoethyl)thio]methyl]phenyl]methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[[3-hydroxy-2,4,6-trimethyl-5-[(2-octadecoxy-2-oxoethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[3-hydroxy-5-[[(2-keto-2-stearyloxy-ethyl)thio]methyl]-2,4,6-trimethyl-benzyl]thio]acetic acid stearyl ester Formula: C51H92O5S2 MolecularWeight: 849.40318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=C(C(=C(C(=C1C)O)C)CSCC(=O)OCCCCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=C(C(=C(C(=C1C)O)C)CSCC(=O)OCCCCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C51H92O5S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-55-49(52)42-57-40-47-44(3)48(46(5)51(54)45(47)4)41-58-43-50(53)56-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h54H,6-43H2,1-5H3