(5S)-5-(5-methoxy-4-methyl-2-phenylmethoxy-phenyl)-5-oxidanyl-4-oxidanylidene-2-phenylsulfanyl-hexanal

Systemtic Name: (5S)-5-(5-methoxy-4-methyl-2-phenylmethoxy-phenyl)-5-oxidanyl-4-oxidanylidene-2-phenylsulfanyl-hexanal Openeye Name: (5S)-5-(2-benzyloxy-5-methoxy-4-methyl-phenyl)-5-hydroxy-4-oxo-2-phenylsulfanyl-hexanal CAS Name: (5S)-5-hydroxy-5-(5-methoxy-4-methyl-2-phenylmethoxyphenyl)-4-oxo-2-(phenylthio)hexanal IUPAC Name: (5S)-5-hydroxy-5-(5-methoxy-4-methyl-2-phenylmethoxyphenyl)-4-oxo-2-phenylsulfanylhexanal Traditional Name: (5S)-5-(2-benzoxy-5-methoxy-4-methyl-phenyl)-5-hydroxy-4-keto-2-(phenylthio)hexanal Formula: C27H28O5S MolecularWeight: 464.57322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)C(C)(C(=O)CC(C=O)SC2=CC=CC=C2)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1OC)[C@@](C)(C(=O)CC(C=O)SC2=CC=CC=C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28O5S/c1-19-14-25(32-18-20-10-6-4-7-11-20)23(16-24(19)31-3)27(2,30)26(29)15-22(17-28)33-21-12-8-5-9-13-21/h4-14,16-17,22,30H,15,18H2,1-3H3/t22?,27-/m0/s1