ethyl (2S,3R)-2,3-bis[1-[4-(4-decoxyphenyl)carbonyloxyphenyl]-1-oxidanyl-ethyl]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: ethyl (2S,3R)-2,3-bis[1-[4-(4-decoxyphenyl)carbonyloxyphenyl]-1-oxidanyl-ethyl]-2,3-dihydrothiophene-5-carboxylate Openeye Name: ethyl (2S,3R)-2,3-bis[1-[4-(4-decoxybenzoyl)oxyphenyl]-1-hydroxy-ethyl]-2,3-dihydrothiophene-5-carboxylate CAS Name: (2S,3R)-2,3-bis[1-[4-[(4-decoxyphenyl)-oxomethoxy]phenyl]-1-hydroxyethyl]-2,3-dihydrothiophene-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2,3-bis[1-[4-(4-decoxybenzoyl)oxyphenyl]-1-hydroxyethyl]-2,3-dihydrothiophene-5-carboxylate Traditional Name: (2S,3R)-2,3-bis[1-[4-(4-decoxybenzoyl)oxyphenyl]-1-hydroxy-ethyl]-2,3-dihydrothiophene-5-carboxylic acid ethyl ester Formula: C57H74O10S MolecularWeight: 951.25646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C3C=C(SC3C(C)(C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCCCCC)O)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)([C@H]3C=C(S[C@@H]3C(C)(C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)OCCCCCCCCCC)O)C(=O)OCC)O

InChI

InChI=1S/C57H74O10S/c1-6-9-11-13-15-17-19-21-39-64-46-31-23-42(24-32-46)53(58)66-48-35-27-44(28-36-48)56(4,61)50-41-51(55(60)63-8-3)68-52(50)57(5,62)45-29-37-49(38-30-45)67-54(59)43-25-33-47(34-26-43)65-40-22-20-18-16-14-12-10-7-2/h23-38,41,50,52,61-62H,6-22,39-40H2,1-5H3/t50-,52-,56?,57?/m0/s1