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

Systemtic Name: octadecyl 2-[[2,5-dimethyl-3-[(2-octadecoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]ethanoate Openeye Name: octadecyl 2-[[4-hydroxy-2,5-dimethyl-3-[(2-octadecoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-hydroxy-2,5-dimethyl-3-[[(2-octadecoxy-2-oxoethyl)thio]methyl]phenyl]methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[[4-hydroxy-2,5-dimethyl-3-[(2-octadecoxy-2-oxoethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-hydroxy-3-[[(2-keto-2-stearyloxy-ethyl)thio]methyl]-2,5-dimethyl-benzyl]thio]acetic acid stearyl ester Formula: C50H90O5S2 MolecularWeight: 835.3766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H90O5S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-54-48(51)42-56-40-46-39-44(3)50(53)47(45(46)4)41-57-43-49(52)55-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39,53H,5-38,40-43H2,1-4H3