methyl (2S,3R)-2,3-bis[1-(4-octadecanoyloxyphenyl)ethenyl]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl (2S,3R)-2,3-bis[1-(4-octadecanoyloxyphenyl)ethenyl]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl (2S,3R)-2,3-bis[1-(4-octadecanoyloxyphenyl)vinyl]-2,3-dihydrothiophene-5-carboxylate CAS Name: (2S,3R)-2,3-bis[1-[4-(1-oxooctadecoxy)phenyl]ethenyl]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2,3-bis[1-(4-octadecanoyloxyphenyl)ethenyl]-2,3-dihydrothiophene-5-carboxylate Traditional Name: (2S,3R)-2,3-bis[1-(4-stearoyloxyphenyl)vinyl]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C58H88O6S MolecularWeight: 913.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C)C2C=C(SC2C(=C)C3=CC=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C)[C@H]2C=C(S[C@@H]2C(=C)C3=CC=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OC

InChI

InChI=1S/C58H88O6S/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/h38-46,53,57H,3-4,6-37H2,1-2,5H3/t53-,57-/m1/s1