methyl 4,5-bis[1-(4-octadecanoyloxyphenyl)ethenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4,5-bis[1-(4-octadecanoyloxyphenyl)ethenyl]thiophene-2-carboxylate Openeye Name: methyl 4,5-bis[1-(4-octadecanoyloxyphenyl)vinyl]thiophene-2-carboxylate CAS Name: 4,5-bis[1-[4-(1-oxooctadecoxy)phenyl]ethenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-bis[1-(4-octadecanoyloxyphenyl)ethenyl]thiophene-2-carboxylate Traditional Name: 4,5-bis[1-(4-stearoyloxyphenyl)vinyl]thiophene-2-carboxylic acid methyl ester Formula: C58H86O6S MolecularWeight: 911.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C)C2=C(SC(=C2)C(=O)OC)C(=C)C3=CC=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C)C2=C(SC(=C2)C(=O)OC)C(=C)C3=CC=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C58H86O6S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-55(59)63-51-42-38-49(39-43-51)47(3)53-46-54(58(61)62-5)65-57(53)48(4)50-40-44-52(45-41-50)64-56(60)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38-46H,3-4,6-37H2,1-2,5H3