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

Systemtic Name: octadecyl 2-[[3,5-bis[(2-octadecoxy-2-oxidanylidene-ethyl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]ethanoate Openeye Name: octadecyl 2-[[4-hydroxy-3,5-bis[(2-octadecoxy-2-oxo-ethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-hydroxy-3,5-bis[[(2-octadecoxy-2-oxoethyl)thio]methyl]phenyl]methylthio]acetic acid octadecyl ester IUPAC Name: octadecyl 2-[[4-hydroxy-3,5-bis[(2-octadecoxy-2-oxoethyl)sulfanylmethyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-hydroxy-3,5-bis[[(2-keto-2-stearyloxy-ethyl)thio]methyl]benzyl]thio]acetic acid stearyl ester Formula: C69H126O7S3 MolecularWeight: 1163.92954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)CSCC(=O)OCCCCCCCCCCCCCCCCCC)O)CSCC(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CSCC1=CC(=C(C(=C1)CSCC(=O)OCCCCCCCCCCCCCCCCCC)O)CSCC(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H126O7S3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-74-66(70)60-77-57-63-55-64(58-78-61-67(71)75-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)69(73)65(56-63)59-79-62-68(72)76-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55-56,73H,4-54,57-62H2,1-3H3