[(2R,3S,4R,5R)-4-(4-methylphenyl)sulfanyl-5-octoxy-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R)-4-(4-methylphenyl)sulfanyl-5-octoxy-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R)-3-hydroxy-5-octoxy-4-(p-tolylsulfanyl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R)-3-hydroxy-4-[(4-methylphenyl)thio]-5-octoxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3-hydroxy-4-(4-methylphenyl)sulfanyl-5-octoxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R)-3-hydroxy-5-octoxy-4-(p-tolylthio)tetrahydrofuran-2-yl]methyl ester Formula: C27H36O5S MolecularWeight: 472.63674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(O1)COC(=O)C2=CC=CC=C2)O)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O)SC3=CC=C(C=C3)C

InChI

InChI=1S/C27H36O5S/c1-3-4-5-6-7-11-18-30-27-25(33-22-16-14-20(2)15-17-22)24(28)23(32-27)19-31-26(29)21-12-9-8-10-13-21/h8-10,12-17,23-25,27-28H,3-7,11,18-19H2,1-2H3/t23-,24+,25-,27-/m1/s1