octadecyl 2-[[3-[(2-octadecoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-2-oxidanyl-5-prop-2-ynyl-phenyl]methylsulfanyl]ethanoate

Systemtic Name: octadecyl 2-[[3-[(2-octadecoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-2-oxidanyl-5-prop-2-ynyl-phenyl]methylsulfanyl]ethanoate Openeye Name: octadecyl 2-[[2-hydroxy-3-[(2-octadecoxy-2-oxo-ethyl)sulfanylmethyl]-5-prop-2-ynyl-phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-hydroxy-3-[[(2-octadecoxy-2-oxoethyl)thio]methyl]-5-prop-2-ynylphenyl]methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[[2-hydroxy-3-[(2-octadecoxy-2-oxoethyl)sulfanylmethyl]-5-prop-2-ynylphenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-hydroxy-3-[[(2-keto-2-stearyloxy-ethyl)thio]methyl]-5-propargyl-benzyl]thio]acetic acid stearyl ester Formula: C51H88O5S2 MolecularWeight: 845.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=CC(=C1O)CSCC(=O)OCCCCCCCCCCCCCCCCCC)CC#C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=CC(=C1O)CSCC(=O)OCCCCCCCCCCCCCCCCCC)CC#C

InChI

InChI=1S/C51H88O5S2/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-55-49(52)44-57-42-47-40-46(37-6-3)41-48(51(47)54)43-58-45-50(53)56-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h3,40-41,54H,4-5,7-39,42-45H2,1-2H3