ethyl 4-[5-ethoxy-5-oxidanylidene-1-(3-pentadecylphenoxy)pentan-2-yl]sulfanyl-5-(3-pentadecylphenoxy)pentanoate

Systemtic Name: ethyl 4-[5-ethoxy-5-oxidanylidene-1-(3-pentadecylphenoxy)pentan-2-yl]sulfanyl-5-(3-pentadecylphenoxy)pentanoate Openeye Name: ethyl 4-[4-ethoxy-4-oxo-1-[(3-pentadecylphenoxy)methyl]butyl]sulfanyl-5-(3-pentadecylphenoxy)pentanoate CAS Name: 4-[[5-ethoxy-5-oxo-1-(3-pentadecylphenoxy)pentan-2-yl]thio]-5-(3-pentadecylphenoxy)pentanoic acid ethyl ester IUPAC Name: ethyl 4-[5-ethoxy-5-oxo-1-(3-pentadecylphenoxy)pentan-2-yl]sulfanyl-5-(3-pentadecylphenoxy)pentanoate Traditional Name: 4-[[4-ethoxy-4-keto-1-[(3-pentadecylphenoxy)methyl]butyl]thio]-5-(3-pentadecylphenoxy)valeric acid ethyl ester Formula: C56H94O6S MolecularWeight: 895.40696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(CCC(=O)OCC)SC(CCC(=O)OCC)COC2=CC=CC(=C2)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(CCC(=O)OCC)SC(CCC(=O)OCC)COC2=CC=CC(=C2)CCCCCCCCCCCCCCC

InChI

InChI=1S/C56H94O6S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-35-49-37-33-39-51(45-49)61-47-53(41-43-55(57)59-7-3)63-54(42-44-56(58)60-8-4)48-62-52-40-34-38-50(46-52)36-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h33-34,37-40,45-46,53-54H,5-32,35-36,41-44,47-48H2,1-4H3